Showing Compound D-Mannitol (FDB001982)

Record Information

Version

1.0

Creation date

2010-04-08 22:05:11 UTC

Update date

2019-11-26 02:56:50 UTC

Primary ID

FDB001982

Secondary Accession Numbers

Not Available

Chemical Information

FooDB Name

D-Mannitol

Description

Permitted bulk sweetener for foods. Sweetening agent. Food additive, used as anticaking agent, lubricant, for stabiliser and thickener, and for other uses in food processing A diuretic and renal diagnostic aid related to sorbitol. It has little significant energy value as it is largely eliminated from the body before any metabolism can take place. It can be used to treat oliguria associated with kidney failure or other manifestations of inadequate renal function and has been used for determination of glomerular filtration rate. Mannitol is also commonly used as a research tool in cell biological studies, usually to control osmolarity.; Chemically, mannitol is an alcohol and a sugar, or a polyol; Mannitol is a non-permeating molecule i.e. it cannot cross biological membranes.; Mannitol is a sugar alcohol, that is, it is derived from a sugar by reduction. Other sugar alcohols include xylitol and sorbitol. Aqueous solutions of mannitol are mildly acidic and sometimes such solutions are treated to raise the pH. Chemical Abstracts Registry Numbers for mannitol are 123897-58-5, 69-65-8 (D-Mannitol), 75398-80-0, 85085-15-0, and 87-78-5 (mannitol with unspecified stereochemistry).; Mannitol is an organic compound with the formula (C6H8(OH)6). This polyol is used as an osmotic diuretic agent and a weak renal vasodilator. It was originally isolated from the secretions of the flowering ash, called manna after their resemblance to the Biblical food, and is also be referred to as mannite and manna sugar.; Mannitol or hexan-1,2,3,4,5,6-hexol (C6H8(OH)6) is an osmotic diuretic agent and a weak renal vasodilator. It is a sorbitol isomer.; it is similar to xylitol or sorbitol. However, mannitol has a tendency to lose a hydrogen ion in aqueous solutions, which causes the solution to become acidic. For this, it is not uncommon to add a substance to adjust its pH, such as sodium bicarbonate. D-Mannitol is found in many foods, some of which are agave, tronchuda cabbage, lupine, and apricot.

CAS Number

69-65-8

Structure

MOL SDF 3D-SDF PDB SMILES InChI View 3D Structure

Synonyms

Synonym	Source
(2R,3R,4R,5R)-Hexane-1,2,3,4,5,6-hexaol	ChEBI
(2R,3R,4R,5R)-Hexane-1,2,3,4,5,6-hexol	ChEBI
1,2,3,4,5,6-Hexanehexol	HMDB
Cordycepate	biospider
Cordycepic acid	db_source
CPD without stereochemical designation	biospider
D-(-)-mannitol	biospider
D-mannite	biospider
Diosmol	HMDB
DL-mannitol	biospider
e 421	ChEBI
e-421	ChEBI
E421	db_source
Hexahydroxyhexane	HMDB
Hexanhexol	biospider
Invenex	biospider
Isotol	HMDB
Manicol	HMDB
Manita	db_source
Maniton s	biospider
Maniton-S	HMDB
Manna sugar	ChEBI
Mannazucker	HMDB
Mannazucker (german)	biospider
Mannidex	HMDB
Mannigen	HMDB
Mannistol	HMDB
Mannit	HMDB
Mannit p	biospider
Mannite	ChEBI
Mannitol	ChEBI
Mannitol (van)	biospider
Mannitol [usan]	biospider
MANNITOL 10%	biospider
MANNITOL 10% IN PLASTIC CONTAINER	biospider
MANNITOL 10% W/ DEXTROSE 5% IN DISTILLED WATER	biospider
MANNITOL 15%	biospider
MANNITOL 15% IN PLASTIC CONTAINER	biospider
MANNITOL 15% W/ DEXTROSE 5% IN SODIUM CHLORIDE 0.45%	biospider
MANNITOL 20%	biospider
MANNITOL 20% IN PLASTIC CONTAINER	biospider
MANNITOL 25%	biospider
MANNITOL 5%	biospider
MANNITOL 5% IN PLASTIC CONTAINER	biospider
MANNITOL 5% W/ DEXTROSE 5% IN SODIUM CHLORIDE 0.12%	biospider
Mannogem 2080	biospider
Marine crystal	biospider
MTL	biospider
Osmitrol	db_source
OSMITROL 10% IN WATER	biospider
OSMITROL 10% IN WATER IN PLASTIC CONTAINER	biospider
OSMITROL 15% IN WATER	biospider
OSMITROL 15% IN WATER IN PLASTIC CONTAINER	biospider
OSMITROL 20% IN WATER	biospider
OSMITROL 20% IN WATER IN PLASTIC CONTAINER	biospider
OSMITROL 5% IN WATER	biospider
OSMITROL 5% IN WATER IN PLASTIC CONTAINER	biospider
Osmofundin	biospider
Osmosal	HMDB
Resectisol	db_source
Resectisol in plastic container	biospider
SDM No. 35	biospider
Sorbitol-mannitol	biospider
Sorbitol-mannitol in plastic container	biospider

Predicted Properties

Property	Value	Source
Water Solubility	229 g/L	ALOGPS
logP	-2.7	ALOGPS
logP	-3.7	ChemAxon
logS	0.1	ALOGPS
pKa (Strongest Acidic)	12.59	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	121.38 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	38.4 m³·mol⁻¹	ChemAxon
Polarizability	16.96 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Chemical Formula

C6H14O6

IUPAC name

hexane-1,2,3,4,5,6-hexol

InChI Identifier

InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2

InChI Key

FBPFZTCFMRRESA-UHFFFAOYSA-N

Isomeric SMILES

OCC(O)C(O)C(O)C(O)CO

Average Molecular Weight

182.1718

Monoisotopic Molecular Weight

182.07903818

Classification

Description

Belongs to the class of organic compounds known as sugar alcohols. These are hydrogenated forms of carbohydrate in which the carbonyl group (aldehyde or ketone, reducing sugar) has been reduced to a primary or secondary hydroxyl group.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Sugar alcohols

Alternative Parents

Substituents

Sugar alcohol
Monosaccharide
Secondary alcohol
Polyol
Hydrocarbon derivative
Primary alcohol
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

a sugar alcohol (SORBITOL )

Ontology

No ontology term

Physico-Chemical Properties

Physico-Chemical Properties - Experimental

Property	Value	Reference
Physical state	Solid
Physical Description	Not Available
Mass Composition	C 39.56%; H 7.75%; O 52.70%	DFC
Melting Point	Mp 166°	DFC
Boiling Point	Bp3.5 295°	DFC
Experimental Water Solubility	216 mg/mL at 25 oC	YALKOWSKY,SH & DANNENFELSER,RM (1992)
Experimental logP	-3.10	HANSCH,C ET AL. (1995)
Experimental pKa	pKa1 13.29 (25°)	DFC
Isoelectric point	Not Available
Charge	Not Available
Optical Rotation	[a]25D +28.61 (c, 10 in 12.8% borax aq.)	DFC
Spectroscopic UV Data	Not Available
Density	Not Available
Refractive Index	Not Available

Spectra

EI-MS/GC-MS

Type	Description	Splash Key	View
EI-MS	Mass Spectrum (Electron Ionization)	splash10-00di-9000000000-d5db4fbf6c1eb9dd3564	2014-09-20	View Spectrum
Predicted GC-MS	D-Mannitol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	splash10-03k9-9400000000-7a0f08ea65cbca1920f5	Spectrum
Predicted GC-MS	D-Mannitol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	D-Mannitol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum

MS/MS

Type	Description	Splash Key	View
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001i-2900000000-ef92b9091ecf5d15cdee	2015-05-26	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03di-9200000000-c5d221c83fe92a223066	2015-05-26	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-03dl-9100000000-1004cdc33fd7fa2a461a	2015-05-26	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001i-2900000000-ef92b9091ecf5d15cdee	2015-05-27	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03di-9200000000-c5d221c83fe92a223066	2015-05-27	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-03dl-9100000000-1004cdc33fd7fa2a461a	2015-05-27	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001i-2900000000-ef92b9091ecf5d15cdee	2015-05-27	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03di-9200000000-c5d221c83fe92a223066	2015-05-27	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-03dl-9100000000-1004cdc33fd7fa2a461a	2015-05-27	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-07ju-7900000000-2c69fe75b270954e890b	2015-05-27	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-06y6-9200000000-28c0b3b2a937cadbdb36	2015-05-27	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0btc-9000000000-c540d295ae46b6104610	2015-05-27	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-07ju-7900000000-2c69fe75b270954e890b	2015-05-27	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-06y6-9200000000-28c0b3b2a937cadbdb36	2015-05-27	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0btc-9000000000-c540d295ae46b6104610	2015-05-27	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-07ju-7900000000-2c69fe75b270954e890b	2015-05-27	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-06y6-9200000000-28c0b3b2a937cadbdb36	2015-05-27	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0btc-9000000000-c540d295ae46b6104610	2015-05-27	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0002-3900000000-6801fbed6b67e0df2d20	2021-10-12	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03dl-9000000000-4454dcd4b817c183328b	2021-10-12	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0007-9000000000-127cb146a26be74d7f9a	2021-10-12	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0kar-7900000000-e793b825c7e693e0b244	2021-10-12	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0a4i-9000000000-8422ff5a519738da63af	2021-10-12	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0a4l-9000000000-384472ca3ed0c588c319	2021-10-12	View Spectrum

NMR

Type	Description		View
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, experimental)		Spectrum
1D NMR	¹³C NMR Spectrum (1D, 22.53 MHz, D₂O, experimental)		Spectrum

External Links

ChemSpider ID

ChEMBL ID

KEGG Compound ID

Pubchem Compound ID

Pubchem Substance ID

Not Available

ChEBI ID

16899

Phenol-Explorer ID

Not Available

DrugBank ID

DB00742

HMDB ID

HMDB00765

CRC / DFC (Dictionary of Food Compounds) ID

CBW83-H:CBW84-I

EAFUS ID

2114

Dr. Duke ID

D-MANNITOL|MANNITOL

BIGG ID

Not Available

KNApSAcK ID

C00001165

HET ID

MTL

Food Biomarker Ontology

Not Available

VMH ID

Not Available

Flavornet ID

Not Available

GoodScent ID

rw1030941

SuperScent ID

Not Available

Wikipedia ID

Mannitol

Phenol-Explorer Metabolite ID

Not Available

Duplicate IDS

Not Available

Old DFC IDS

Not Available

Associated Foods

Food	Content Range	Average	Reference
Food			Reference

Biological Effects and Interactions

Health Effects / Bioactivities

Descriptor	ID	Definition	Reference
Allergenic	50904	A substance that triggers an immune response, causing allergic reactions. Its biological role is to stimulate the immune system, but it has no therapeutic applications. Key medical uses include diagnosing allergies and developing immunotherapies to desensitize patients to specific allergens, reducing the risk of severe reactions.	DUKE
Analgesic	35480	An agent that relieves pain by reducing or blocking pain signals in the brain, commonly used to manage acute or chronic pain, inflammation, and fever, with therapeutic applications in surgery, injury, and disease treatment.	DUKE
Anti-helmintic	33281	An agent that kills or expels parasitic worms, treating helminthic infections. Therapeutically, it targets intestinal parasites, reducing infection symptoms. Key medical uses include treating roundworm, hookworm, and tapeworm infections.	DUKE
Anti-glaucomic		An agent that reduces intraocular pressure, used to treat and prevent damage to the optic nerve and vision loss associated with glaucoma, promoting eye health and preserving vision.	DUKE
Anti-inflammatory	35472	An agent that reduces inflammation, playing a biological role in suppressing immune responses and therapeutic applications in managing pain, swelling, and redness. Key medical uses include treating arthritis, allergies, and autoimmune disorders, as well as relieving symptoms of conditions such as asthma and dermatitis.	DUKE
Anti-mutagenic		An agent that interferes with the mutagenicity of a substance, preventing DNA damage and mutations. Its biological role is to protect cells from genetic alterations, and it has therapeutic applications in cancer prevention and treatment, as well as key medical uses in reducing the risk of genetic disorders and birth defects.	DUKE
Anti nephritic	52217	An agent that reduces kidney inflammation, commonly used to manage nephritis and other kidney disorders, helping to prevent kidney damage and promote renal health.	DUKE
Anti-oxidant	22586	An agent that neutralizes free radicals, reducing oxidative stress and cell damage. Its biological role involves protecting cells from harm, and it has therapeutic applications in managing chronic diseases, such as cancer, diabetes, and neurodegenerative disorders, with key medical uses including anti-aging, anti-inflammatory, and cardio protective effects.	DUKE
Anti radicular		An agent that relieves inflammation or irritation of the nerve root of a tooth, reducing pain and discomfort. Its biological role is to target and alleviate radicular pain, with therapeutic applications in endodontics and key medical uses in root canal treatments and tooth sensitivity management.	DUKE
Anti Reye's	52217	An agent that prevents Reye's syndrome, a rare but serious condition. It inhibits the use of aspirin in children with viral infections, reducing the risk of liver and brain damage, and is commonly used in pediatric care to prevent this life-threatening disease.	DUKE
Anti-spasmodic	52217	An agent that relaxes smooth muscle, reducing muscle spasms and cramps. It plays a biological role in regulating muscle tone and is therapeutically applied to treat conditions such as irritable bowel syndrome, menstrual cramps, and muscle spasms, providing relief from abdominal pain and discomfort.	DUKE
Diuretic	35498	An agent that increases urine production, helping remove excess fluids and salts from the body. It plays a key biological role in regulating fluid balance and blood pressure. Therapeutically, diuretics are used to treat conditions such as hypertension, edema, and heart failure, helping reduce swelling and lower blood pressure.	DUKE
Emetic		An agent that induces vomiting, playing a biological role in expelling toxins from the body. Therapeutically, it is used to treat poisoning, overdose, or gastrointestinal obstruction. Key medical uses include managing drug toxicity and aiding in stomach pumping procedures.	DUKE
Flatugenic		An agent that induces flatulence, increasing gas in the digestive system. Its biological role involves stimulating bowel movements and relieving constipation. Therapeutically, it has applications in managing gastrointestinal disorders. Key medical uses include treating constipation, diverticulitis, and irritable bowel syndrome, promoting regular bowel movements and relieving symptoms.	DUKE
Laxative	50503	An agent that stimulates bowel movements, relieving constipation by softening stool or increasing intestinal motility. Therapeutically, laxatives are used to treat constipation, prepare the bowel for medical procedures, and manage certain medical conditions, such as irritable bowel syndrome.	DUKE
Nephrotoxic	50909	An agent that damages or harms the kidneys, disrupting their ability to filter waste. It has no therapeutic applications, but is often a side effect of certain medications, such as antibiotics and chemotherapy. Key medical uses involve monitoring and managing kidney damage in patients receiving nephrotoxic treatments.	DUKE
Pesticide	25944	An agent that kills or repels pests, playing a biological role in controlling insect, weed, and fungal populations. Therapeutically, pesticides have limited applications, but some are used to treat ectoparasitic infestations, such as lice and scabies. Key medical uses include topical treatments for head lice and scabies, highlighting their role in managing parasitic infections.	DUKE
Sweetener	50505	A substance that adds sweetness to food and beverages, often used as a sugar substitute. Its biological role is to stimulate taste receptors, while its therapeutic applications include managing calorie intake and blood sugar levels. Key medical uses include treating diabetes and obesity, as well as reducing tooth decay risk.	DUKE

Enzymes

Not Available

Pathways

Not Available

Metabolism

Not Available

Biosynthesis

Not Available

Organoleptic Properties

Flavours

Flavor	Citations
odorless	The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.

Files

MSDS

show

References

Synthesis Reference

Not Available

General Reference

Not Available

Content Reference

— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).
— Shinbo, Y., et al. 'KNApSAcK: a comprehensive species-metabolite relationship database.' Plant Metabolomics. Springer Berlin Heidelberg, 2006. 165-181.