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Showing Compound Sodium tartrate (FDB016909)

Record Information
Version1.0
Creation date2010-04-08 22:12:43 UTC
Update date2025-11-19 01:50:50 UTC
Primary IDFDB016909
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameSodium tartrate
Descriptiondisodium 2,3-dihydroxybutanedioate belongs to the class of organic compounds known as beta hydroxy acids and derivatives. Beta hydroxy acids and derivatives are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. Based on a literature review very few articles have been published on disodium 2,3-dihydroxybutanedioate.
CAS Number868-18-8
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
Disodium 2,3-dihydroxybutanedioic acidGenerator
Sodium tartric acidGenerator
Bisodium tartratebiospider
Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, disodium saltbiospider
Disodium 2,3-dihydroxybutanedioate, (R-(R*,R*))-biospider
Disodium l-(+)-tartratebiospider
Disodium salt of l-(+)-tartaric acidbiospider
Disodium tartratebiospider
E335db_source
Limonade aseptabiospider
Natrium (RR)-tartratbiospider
Sal tartarbiospider
Sodium l-(+)-tartratebiospider
Sodium l-tartratebiospider
Sodium tartratedb_source
Sodium tartrate dihydratebiospider
Tartaric acid, disodium saltbiospider
Predicted Properties
PropertyValueSource
Water Solubility779 g/LALOGPS
logP-1.9ALOGPS
logP-1.8ChemAxon
logS0.6ALOGPS
pKa (Strongest Acidic)2.72ChemAxon
pKa (Strongest Basic)-4.3ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area120.72 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity47.89 m³·mol⁻¹ChemAxon
Polarizability10.82 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaC4H4Na2O6
IUPAC namedisodium 2,3-dihydroxybutanedioate
InChI IdentifierInChI=1S/C4H6O6.2Na/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;/q;2*+1/p-2
InChI KeyHELHAJAZNSDZJO-UHFFFAOYSA-L
Isomeric SMILES[Na+].[Na+].OC(C(O)C([O-])=O)C([O-])=O
Average Molecular Weight194.0505
Monoisotopic Molecular Weight193.98032721
Classification
Description Belongs to the class of organic compounds known as beta hydroxy acids and derivatives. Beta hydroxy acids and derivatives are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassHydroxy acids and derivatives
Sub ClassBeta hydroxy acids and derivatives
Direct ParentBeta hydroxy acids and derivatives
Alternative Parents
Substituents
  • Beta-hydroxy acid
  • Short-chain hydroxy acid
  • Fatty acid
  • Dicarboxylic acid or derivatives
  • Monosaccharide
  • 1,2-diol
  • Carboxylic acid salt
  • Secondary alcohol
  • Carboxylic acid derivative
  • Organic alkali metal salt
  • Carboxylic acid
  • Organic oxygen compound
  • Organooxygen compound
  • Organic salt
  • Organic sodium salt
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
OntologyNo ontology term
Physico-Chemical Properties
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 24.76%; H 2.08%; Na 23.69%; O 49.47%DFC
Melting PointNot Available
Boiling PointNot Available
Experimental Water Solubility250 mg/mLMERCK INDEX (1996)
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
EI-MS/GC-MSNot Available
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0udl-0900000000-adf4558a5392b7db719a2019-02-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0f6t-9700000000-24204db5985ebb64d55c2019-02-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0aor-9500000000-f3a9c3a8d1ced010d8372019-02-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0006-0900000000-89af6a89684a6e0b40a12019-02-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0006-0900000000-89af6a89684a6e0b40a12019-02-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0006-0900000000-89af6a89684a6e0b40a12019-02-23View Spectrum
NMRNot Available
ChemSpider ID12786
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID13355
Pubchem Substance IDNot Available
ChEBI ID31224
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDBTJ82-E:KTY65-T
EAFUS ID3483
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDrw1303591
SuperScent IDNot Available
Wikipedia IDSodium_tartrate
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