Showing Compound Potassium phosphate (K(H2PO4)) (FDB013364)

Record Information

Version

1.0

Creation date

2010-04-08 22:10:40 UTC

Update date

2015-07-20 22:58:16 UTC

Primary ID

FDB013364

Secondary Accession Numbers

Not Available

Chemical Information

FooDB Name

Potassium phosphate (K(H2PO4))

Description

Monopotassium phosphate, also known as MKP or potassium phosphoric acid, belongs to the class of inorganic compounds known as alkali metal phosphates. These are inorganic compounds in which the largest oxoanion is phosphate, and in which the heaviest atom not in an oxoanion is an alkali metal. Based on a literature review very few articles have been published on Monopotassium phosphate.

CAS Number

7778-77-0

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
MKP	ChEBI
Monopotassium dihydrogen phosphate	ChEBI
Monopotassium monophosphate	ChEBI
Monopotassium orthophosphate	ChEBI
Orthophosphoric acid, monopotassium salt	ChEBI
Phosphoric acid, monopotassium salt	ChEBI
Phosphoric acid, potassium salt (1:1)	ChEBI
Potassium acid phosphate	ChEBI
Potassium dihydrogen orthophosphate	ChEBI
Potassium phosphate	ChEBI
Potassium phosphate monobasic	ChEBI
Sorensen's potassium phosphate	ChEBI
Monopotassium dihydrogen phosphoric acid	Generator
Monopotassium monophosphoric acid	Generator
Monopotassium orthophosphoric acid	Generator
Orthophosphate, monopotassium salt	Generator
Phosphate, monopotassium salt	Generator
Phosphate, potassium salt (1:1)	Generator
Potassium acid phosphoric acid	Generator
Potassium dihydrogen orthophosphoric acid	Generator
Potassium phosphoric acid	Generator
Potassium phosphoric acid monobasic	Generator
Sorensen's potassium phosphoric acid	Generator
Monopotassium phosphoric acid	Generator
Monopotassium phosphate	ChEBI
Potassium phosphoric acid, monobasic	Generator
Potassium phosphoric acid (K(H2PO4))	Generator
7778-77-0 (potassium-H3PO4)	biospider
KDP	biospider
KPO4(aq)	biospider
Monobasic potassium phosphate	biospider
Monopotassium monophosphate(aq)	biospider
Monopotassium phosphate, 9CI, 8CI	db_source
Phosphate standard for ic	biospider
Phosphoric acid, potassium salt	biospider
Potassium dideuterophosphate	biospider
Potassium dihydrogen phosphate	biospider
Potassium dihydrogenorthophosphate	biospider
Potassium dihydrogenphosphate	db_source
Potassium hydrogen phosphate (KH2PO4)	biospider
Potassium orthophosphate	biospider
Potassium orthophosphate, dihydrogen	biospider
Potassium phosphate monobasic, acs	biospider
Potassium phosphate monobasic, USAN	db_source
Potassium phosphate, monobasic	biospider
Potassium phosphate, monobasic (jan/NF)	biospider
Potassium phosphate, monobasic(aq)	biospider
Potassium phosphate(aq)	biospider
Prim.-potassium phosphate	biospider

Predicted Properties

Property	Value	Source
logP	-1	ChemAxon
pKa (Strongest Acidic)	1.8	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	80.59 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	13.53 m³·mol⁻¹	ChemAxon
Polarizability	5.53 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Chemical Formula

H2KO4P

IUPAC name

potassium dihydrogen phosphate

InChI Identifier

InChI=1S/K.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1

InChI Key

GNSKLFRGEWLPPA-UHFFFAOYSA-M

Isomeric SMILES

[K+].OP(O)([O-])=O

Average Molecular Weight

136.0855

Monoisotopic Molecular Weight

135.932776925

Classification

Description

Belongs to the class of inorganic compounds known as alkali metal phosphates. These are inorganic compounds in which the largest oxoanion is phosphate, and in which the heaviest atom not in an oxoanion is an alkali metal.

Kingdom

Inorganic compounds

Super Class

Mixed metal/non-metal compounds

Class

Alkali metal oxoanionic compounds

Sub Class

Alkali metal phosphates

Direct Parent

Alkali metal phosphates

Alternative Parents

Substituents

Alkali metal phosphate
Inorganic oxide
Inorganic salt

Molecular Framework

Not Available

External Descriptors

potassium salt (CHEBI:63036 )
inorganic phosphate (CHEBI:63036 )

Ontology

No ontology term

Physico-Chemical Properties

Physico-Chemical Properties - Experimental

Property	Value	Reference
Physical state	Not Available
Physical Description	Not Available
Mass Composition	H 1.48%; K 28.73%; O 47.03%; P 22.76%	DFC
Melting Point	Mp 272°	DFC
Boiling Point	Not Available
Experimental Water Solubility	Not Available
Experimental logP	Not Available
Experimental pKa	Not Available
Isoelectric point	Not Available
Charge	Not Available
Optical Rotation	Not Available
Spectroscopic UV Data	Not Available
Density	Not Available
Refractive Index	Not Available

Spectra

EI-MS/GC-MS

Type	Description	Splash Key	View
Predicted GC-MS	Potassium phosphate (K(H2PO4)), non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	splash10-000i-2900000000-705bf4c492a6a3f08fca	Spectrum

MS/MS

Type	Description	Splash Key	View
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-000i-4900000000-8816486944077c4e87dd	2019-02-23	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0019-5900000000-1f8d744b4dcdaf18002f	2019-02-23	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-001i-9100000000-2bf1047037e4efb8752a	2019-02-23	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0059-9700000000-9e8490b13afdce9b1f40	2019-02-23	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9000000000-520c7e2a186a838278c6	2019-02-23	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-54e975d41446154675c5	2019-02-23	View Spectrum

NMR

Not Available

External Links

ChemSpider ID

Not Available

ChEMBL ID

Not Available

KEGG Compound ID

Not Available

Pubchem Compound ID

516951

Pubchem Substance ID

Not Available

ChEBI ID

Not Available

Phenol-Explorer ID

Not Available

DrugBank ID

Not Available

HMDB ID

Not Available

CRC / DFC (Dictionary of Food Compounds) ID

HTN08-U:HTN08-U

EAFUS ID

3144

Dr. Duke ID

Not Available

BIGG ID

Not Available

KNApSAcK ID

Not Available

HET ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

Flavornet ID

Not Available

GoodScent ID

rw1278271

SuperScent ID

Not Available

Wikipedia ID

Not Available

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

Not Available

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

Not Available

References

Synthesis Reference

Not Available

General Reference

Not Available

Content Reference