(R)-(-)-Citramalic acid

C₅H₈O₅CAS 6236-10-8148.11 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid

Properties

Molecular formula: C₅H₈O₅
Molar mass: 148.11 g/mol
Exact mass: 148.0372 Da
logP: -0.70Crippen estimate
Polar surface area: 94.8 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

6236-10-8

SMILES

C[C@@](CC(=O)O)(C(=O)O)O

InChIKey

XFTRTWQBIOMVPK-RXMQYKEDSA-N

InChI

InChI=1S/C5H8O5/c1-5(10,4(8)9)2-3(6)7/h10H,2H2,1H3,(H,6,7)(H,8,9)/t5-/m1/s1

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Names and synonyms

1 names

Citramalic acid, (-)-

Work with (R)-(-)-Citramalic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(±)-2-Hydroxy-2-methylbutyric acid3739-30-859 % similar 2,2-Dimethylsuccinic acid597-43-359 % similar (2R)-3-Bromo-2-hydroxy-2-methylpropanoic acid261904-39-657 % similar Citric acid77-92-955 % similar 3-Hydroxy-3-methylglutaric acid503-49-152 % similar 3-Hydroxyisovaleric acid625-08-152 % similar 3,3-Dimethylbutanoic acid1070-83-350 % similar Diammonium citrate3012-65-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(+)-Ribonolactone5336-08-3

Elsewhere

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