Showing Compound Disodium succinate (FDB016122)

Record Information

Version

1.0

Creation date

2010-04-08 22:12:15 UTC

Update date

2015-07-20 23:25:42 UTC

Primary ID

FDB016122

Secondary Accession Numbers

Not Available

Chemical Information

FooDB Name

Disodium succinate

Description

Disodium succinate belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. Disodium succinate is a weakly acidic compound (based on its pKa). Disodium succinate is an odorless tasting compound.

CAS Number

150-90-3

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
Anhydrous disodium succinate	ChEBI
Anhydrous sodium succinate	ChEBI
Disodium succinate (anh.)	ChEBI
Disodium succinate (anhydrous)	ChEBI
Succinic acid disodium salt	ChEBI
Anhydrous disodium succinic acid	Generator
Anhydrous sodium succinic acid	Generator
Disodium succinic acid (anh.)	Generator
Disodium succinic acid (anhydrous)	Generator
Succinate disodium salt	Generator
Disodium succinic acid	Generator
Butanedioic acid, disodium salt	biospider
Butanedioic acid, sodium salt (1:2)	biospider
Disodium butanedioate	biospider
Disodium succinate	biospider
FEMA 3277	db_source
Sodium succinate	biospider
Sodium succinate dibasic	biospider
Soduxin	biospider
Succinic acid, disodium salt	biospider

Predicted Properties

Property	Value	Source
Water Solubility	232 g/L	ALOGPS
logP	-0.15	ALOGPS
logP	-0.4	ChemAxon
logS	0.15	ALOGPS
pKa (Strongest Acidic)	3.55	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	80.26 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	45.21 m³·mol⁻¹	ChemAxon
Polarizability	9.33 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

C4H4Na2O4

IUPAC name

disodium butanedioate

InChI Identifier

InChI=1S/C4H6O4.2Na/c5-3(6)1-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);;/q;2*+1/p-2

InChI Key

ZDQYSKICYIVCPN-UHFFFAOYSA-L

Isomeric SMILES

[Na+].[Na+].[O-]C(=O)CCC([O-])=O

Average Molecular Weight

162.0517

Monoisotopic Molecular Weight

161.990497966

Classification

Description

Belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Dicarboxylic acids and derivatives

Direct Parent

Dicarboxylic acids and derivatives

Alternative Parents

Substituents

Fatty acid
Dicarboxylic acid or derivatives
Carboxylic acid salt
Organic alkali metal salt
Carboxylic acid
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organic sodium salt
Organic salt
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

sodium salt (CHEBI:63675 )

Ontology

Disposition

Source:

Food

Biological location:

Subcellular:

Cytoplasm

Cell and elements:

Extracellular

Role

Biological role:

Nutrient

Physico-Chemical Properties

Physico-Chemical Properties - Experimental

Property	Value	Reference
Physical state	Not Available
Physical Description	Not Available
Mass Composition	Not Available
Melting Point	Not Available
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	Disodium succinate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	splash10-03xv-9300000000-5f4058e824ff08fb42ed	Spectrum

MS/MS

Type	Description	Splash Key	View
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03k9-1900000000-b1470edac5f1668daf62	2017-09-01	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03di-4900000000-92b9ee0f7dd448aaef89	2017-09-01	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-056s-9000000000-85fbfc80e358a8fbf2e7	2017-09-01	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-03di-0900000000-608eda33a829a70b88e8	2017-09-01	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-03di-0900000000-608eda33a829a70b88e8	2017-09-01	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-03di-0900000000-608eda33a829a70b88e8	2017-09-01	View Spectrum

NMR

Not Available

External Links

ChemSpider ID

Not Available

ChEMBL ID

Not Available

KEGG Compound ID

Not Available

Pubchem Compound ID

9020

Pubchem Substance ID

Not Available

ChEBI ID

Not Available

Phenol-Explorer ID

Not Available

DrugBank ID

Not Available

HMDB ID

HMDB37128

CRC / DFC (Dictionary of Food Compounds) ID

CBG32-P:KOK27-I

EAFUS ID

1057

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

rw1021271

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