Dimethyl 2,3-dihydroxybutanedioate

C₆H₁₀O₆CAS 5057-96-5178.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₀O₆
Molar mass: 178.14 g/mol
Exact mass: 178.0477 Da
logP: -1.95Crippen estimate
Polar surface area: 93.1 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 3

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

5057-96-5

SMILES

COC(=O)C(C(C(=O)OC)O)O

InChIKey

PVRATXCXJDHJJN-UHFFFAOYSA-N

InChI

InChI=1S/C6H10O6/c1-11-5(9)3(7)4(8)6(10)12-2/h3-4,7-8H,1-2H3

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Names and synonyms

1 names

D-Dimethyl tartrate

Work with Dimethyl 2,3-dihydroxybutanedioate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1,4-Dimethyl 2,3-dihydroxy- (2R,3R)butanedioate608-68-4Defined stereoisomer Dimethyl (2S,3S)-2,3-dihydroxybutanedioate13171-64-7Defined stereoisomer

Similar compounds

(+)-Methyl lactate17392-83-558 % similar (-)-Methyl lactate27871-49-458 % similar Methyl lactate547-64-858 % similar Methyl 2-hydroxy-2-methoxyacetate19757-97-256 % similar Methyl isobutyrate547-63-752 % similar Dimethyl methylmalonate609-02-952 % similar Diisopropyl tartrate2217-15-452 % similar Diisopropyl (-)-tartrate62961-64-252 % similar

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

Same formula

L-Gulono-1,4-lactone1128-23-0 Diethyl peroxydicarbonate14666-78-5 L-Mannono-1,4-lactone22430-23-5 2,2′-[1,2-Ethanediylbis(oxy)]bis[acetic acid]23243-68-7 D-Galactono-1,4-lactone2782-07-2 Polyethylene glycol bis(carboxymethyl) ether39927-08-7

Elsewhere

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