Record Information
Version1.0
Creation date2010-04-08 22:12:15 UTC
Update date2015-07-20 23:25:42 UTC
Primary IDFDB016122
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameDisodium succinate
DescriptionDisodium 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 Number150-90-3
Structure
Thumb
Synonyms
SynonymSource
Anhydrous disodium succinateChEBI
Anhydrous sodium succinateChEBI
Disodium succinate (anh.)ChEBI
Disodium succinate (anhydrous)ChEBI
Succinic acid disodium saltChEBI
Anhydrous disodium succinic acidGenerator
Anhydrous sodium succinic acidGenerator
Disodium succinic acid (anh.)Generator
Disodium succinic acid (anhydrous)Generator
Succinate disodium saltGenerator
Disodium succinic acidGenerator
Butanedioic acid, disodium saltbiospider
Butanedioic acid, sodium salt (1:2)biospider
Disodium butanedioatebiospider
Disodium succinatebiospider
FEMA 3277db_source
Sodium succinatebiospider
Sodium succinate dibasicbiospider
Soduxinbiospider
Succinic acid, disodium saltbiospider
Predicted Properties
PropertyValueSource
Water Solubility232 g/LALOGPS
logP-0.15ALOGPS
logP-0.4ChemAxon
logS0.15ALOGPS
pKa (Strongest Acidic)3.55ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area80.26 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity45.21 m³·mol⁻¹ChemAxon
Polarizability9.33 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaC4H4Na2O4
IUPAC namedisodium butanedioate
InChI IdentifierInChI=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 KeyZDQYSKICYIVCPN-UHFFFAOYSA-L
Isomeric SMILES[Na+].[Na+].[O-]C(=O)CCC([O-])=O
Average Molecular Weight162.0517
Monoisotopic Molecular Weight161.990497966
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.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassDicarboxylic acids and derivatives
Direct ParentDicarboxylic 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 FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Disposition

Source:

Biological location:

Role

Biological role:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-03xv-9300000000-5f4058e824ff08fb42edJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03k9-1900000000-b1470edac5f1668daf62JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-4900000000-92b9ee0f7dd448aaef89JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-056s-9000000000-85fbfc80e358a8fbf2e7JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03di-0900000000-608eda33a829a70b88e8JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-03di-0900000000-608eda33a829a70b88e8JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-03di-0900000000-608eda33a829a70b88e8JSpectraViewer
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID9020
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB37128
CRC / DFC (Dictionary of Food Compounds) IDCBG32-P:KOK27-I
EAFUS ID1057
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDrw1021271
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
Flavours
FlavorCitations
odorless
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference