Record Information
Version1.0
Creation Date2016-05-22 06:03:34 UTC
Update Date2016-11-09 01:15:59 UTC
Accession NumberCHEM019372
Identification
Common Namedl-Tartaric acid
ClassSmall Molecule
DescriptionA tetraric acid that is butanedioic acid substituted by hydroxy groups at positions 2 and 3.
Contaminant Sources
  • ToxCast & Tox21 Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
(+)-Tartaric acidChEBI
(2R,3R)-Tartaric acidChEBI
(R,R)-TartrateChEBI
2,3-Dihydroxysuccinic acidChEBI
L-Tartaric acidChEBI
Tartaric acidChEBI
(+)-TartarateGenerator
(2R,3R)-TartarateGenerator
(R,R)-Tartric acidGenerator
2,3-DihydroxysuccinateGenerator
L-TartarateGenerator
TartarateGenerator
Meso-tartarateGenerator
2,3-DihydroxybutanedioateGenerator
Calcium tartrate tetrahydrateMeSH
Sodium potassium tartrateMeSH
Tartaric acid, (r*,s*)-isomerMeSH
Tartaric acid, (R-(r*,r*))-isomerMeSH
Tartaric acid, ammonium sodium salt, (1:1:1) salt, (r*,r*)-(+-)-isomerMeSH
MN(III) tartrateMeSH
Ammonium tartrateMeSH
Tartaric acid, calcium salt, (R-r*,r*)-isomerMeSH
TartrateMeSH
Sodium tartrateMeSH
Tartaric acid, ((r*,r*)-(+-))-isomerMeSH
Tartaric acid, (S-(r*,r*))-isomerMeSH
Tartaric acid, monoammonium salt, (R-(r*,r*))-isomerMeSH
(R*,r*)-(+-)-2,3-dihydroxybutanedioic acid, monoammonium monosodium saltMeSH
Aluminum tartrateMeSH
Calcium tartrateMeSH
Potassium tartrateMeSH
Seignette saltMeSH
Sodium ammonium tartrateMeSH
Stannous tartrateMeSH
Chemical FormulaC4H6O6
Average Molecular Mass150.087 g/mol
Monoisotopic Mass150.016 g/mol
CAS Registry Number133-37-9
IUPAC Name2,3-dihydroxybutanedioic acid
Traditional Name(.+-.)-tartaric acid
SMILESOC(C(O)C(O)=O)C(O)=O
InChI IdentifierInChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)
InChI KeyFEWJPZIEWOKRBE-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentSugar acids and derivatives
Alternative Parents
Substituents
  • Sugar acid
  • Short-chain hydroxy acid
  • Beta-hydroxy acid
  • Fatty acid
  • Monosaccharide
  • Hydroxy acid
  • Dicarboxylic acid or derivatives
  • Alpha-hydroxy acid
  • Secondary alcohol
  • 1,2-diol
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxide
  • Hydrocarbon derivative
  • Carbonyl group
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility161 g/LALOGPS
logP-1.3ALOGPS
logP-1.8ChemAxon
logS0.03ALOGPS
pKa (Strongest Acidic)2.72ChemAxon
pKa (Strongest Basic)-4.3ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area115.06 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity26.21 m³·mol⁻¹ChemAxon
Polarizability11.61 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
GC-MSGC-MS Spectrum - GC-EI-TOF (Non-derivatized)splash10-0002-0920000000-473bf90ce56c0c0592a0Spectrum
GC-MSGC-MS Spectrum - GC-EI-TOF (Non-derivatized)splash10-0002-0920000000-473bf90ce56c0c0592a0Spectrum
GC-MSGC-MS Spectrum - GC-EI-TOF (Non-derivatized)splash10-0002-0920000000-473bf90ce56c0c0592a0Spectrum
GC-MSGC-MS Spectrum - GC-EI-TOF (Non-derivatized)splash10-0002-0920000000-473bf90ce56c0c0592a0Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0096-9200000000-df0ce9fba754b55674b1Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (4 TMS) - 70eV, Positivesplash10-00di-8029100000-283552abf9161a349136Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableSpectrum
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF , negativesplash10-0002-5900000000-4c66eac9e5850c5fcbe4Spectrum
LC-MS/MSLC-MS/MS Spectrum - , negativesplash10-0072-9600000000-17c4d1ba2b96cd7ef84cSpectrum
LC-MS/MSLC-MS/MS Spectrum - , negativesplash10-0072-9600000000-f9fb12efb15f5ed29bceSpectrum
LC-MS/MSLC-MS/MS Spectrum - 10V, Negativesplash10-0072-9600000000-4115648caec12719bc40Spectrum
LC-MS/MSLC-MS/MS Spectrum - 20V, Negativesplash10-00du-9000000000-76ecadb353351b98d37dSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0f89-1900000000-81029c7f5a1a1f6c7eefSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-056r-9500000000-0540950c816c3054bc75Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a70-9100000000-ab88b0c77d915bdf94c8Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-05bb-8900000000-6145a4d3d74ad91e7c08Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0a4r-9500000000-e810b360131a0cd0626cSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a4i-9000000000-fd760c42934208e53eabSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-05o0-3900000000-e52d00e2e7427df264f9Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-05p9-9300000000-1e180faafcb2fce14102Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0bt9-9000000000-254ae2874ffc06d5337aSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a4s-4900000000-4b81a8a41abed679d134Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0a4i-9200000000-b73e0df104053da76268Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-052f-9000000000-4d8ce26149e6d7a8763fSpectrum
MSMass Spectrum (Electron Ionization)splash10-056r-9000000000-16517a02beb9427ceaffSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDHMDB0059916
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDC00001206
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkTartaric_Acid
Chemspider IDNot Available
ChEBI ID15674
PubChem Compound ID875
Kegg Compound IDNot Available
YMDB IDYMDB01788
ECMDB IDECMDB20172
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available