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meso-Tartaric acid

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

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Identification

Generic Name
meso-Tartaric acid
DrugBank Accession Number
DB14756
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 150.0868
Monoisotopic: 150.016437924
Chemical Formula
C4H6O6
Synonyms
  • (2R,3S)-2,3-dihydroxysuccinic acid
  • (2R,3S)-tartaric acid
  • (R,S)-Tartaric acid
  • Erythraric acid
  • i-Tartaric acid
  • m-tartaric acid
  • mesotartaric acid
  • Mesoweinsäure
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available
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Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Carbohydrates and carbohydrate conjugates
Direct Parent
Sugar acids and derivatives
Alternative Parents
Short-chain hydroxy acids and derivatives / Beta hydroxy acids and derivatives / Monosaccharides / Fatty acids and conjugates / Dicarboxylic acids and derivatives / Alpha hydroxy acids and derivatives / Secondary alcohols / 1,2-diols / Carboxylic acids / Organic oxides
show 2 more
Substituents
1,2-diol / Alcohol / Aliphatic acyclic compound / Alpha-hydroxy acid / Beta-hydroxy acid / Carbonyl group / Carboxylic acid / Carboxylic acid derivative / Dicarboxylic acid or derivatives / Fatty acid
show 7 more
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
2,3-dihydroxybutanedioic acid (CHEBI:15673)
Affected organisms
Not Available

Chemical Identifiers

UNII
JQO211TF1A
CAS number
147-73-9
InChI Key
FEWJPZIEWOKRBE-XIXRPRMCSA-N
InChI
InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2+
IUPAC Name
(2R,3S)-2,3-dihydroxybutanedioic acid
SMILES
O[C@@H]([C@@H](O)C(O)=O)C(O)=O

References

General References
Not Available
KEGG Compound
C00552
ChemSpider
394447
ChEBI
15673
ChEMBL
CHEMBL225983
ZINC
ZINC000000895297
PDBe Ligand
SRT
PDB Entries
1n97 / 1rtv / 1xxn / 2c1l / 2dw7 / 2ixi / 2ixj / 2jbm / 2ot9 / 2p3v …
show 65 more

Clinical Trials

Clinical Trials
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Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility161.0 mg/mLALOGPS
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 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity26.21 m3·mol-1Chemaxon
Polarizability11.69 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0096-9200000000-df0ce9fba754b55674b1
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0api-5900000000-318c61138dc9aa4b5e37
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-9400000000-e2f449177384116cda35
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a6r-9100000000-e6b1e7d2300a6f04d999
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9100000000-1801ae8ce2b776b8fdc4
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-08fu-9000000000-2b43ac636f9561f482de
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4l-9000000000-2081c15b682120880d17
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-126.7572803
predicted
DarkChem Lite v0.1.0
[M-H]-127.8923803
predicted
DarkChem Lite v0.1.0
[M-H]-124.29091
predicted
DeepCCS 1.0 (2019)
[M+H]+126.9071803
predicted
DarkChem Lite v0.1.0
[M+H]+130.2660803
predicted
DarkChem Lite v0.1.0
[M+H]+126.68649
predicted
DeepCCS 1.0 (2019)
[M+Na]+126.2077803
predicted
DarkChem Lite v0.1.0
[M+Na]+127.9140803
predicted
DarkChem Lite v0.1.0
[M+Na]+133.95859
predicted
DeepCCS 1.0 (2019)

Drug created at April 03, 2019 20:27 / Updated at June 12, 2020 16:53