chempirical

Dimethyl (2S,3S)-2,3-dihydroxybutanedioate

C6H10O6CAS 13171-64-7178.14 g/mol

Open in Covalent MOL file
OOOHOHOO
AlcoholEster

Properties

Molecular formula
C6H10O6
Molar mass
178.14 g/mol
Exact mass
178.0477 Da
Boiling point
153 °C (at 12 Torr)
logP
-1.95Crippen estimate
Polar surface area
93.1 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
3
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
13171-64-7
SMILES
COC(=O)[C@@H](O)[C@H](O)C(=O)OC
InChIKey
PVRATXCXJDHJJN-IMJSIDKUSA-N
InChI
InChI=1S/C6H10O6/c1-11-5(9)3(7)4(8)6(10)12-2/h3-4,7-8H,1-2H3/t3-,4-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • Butanedioic acid, 2,3-dihydroxy-, dimethyl ester, (2S,3S)-
  • Tartaric acid, dimethyl ester, D-(-)-
  • Butanedioic acid, 2,3-dihydroxy-, dimethyl ester, [S-(R*,R*)]-
  • Dimethyl (-)-D-tartrate
  • Dimethyl D-tartrate
  • D-(-)-Tartaric acid dimethyl ester
  • Dimethyl (-)-tartrate
  • D-Tartaric acid dimethyl ester
  • (S,S)-Dimethyl tartrate
  • (-)-Dimethyl D-tartarate
  • (-)-Dimethyl D-tartrate

Work with Dimethyl (2S,3S)-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

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

Reduced ascorbate1128-23-0 Diethyl peroxydicarbonate14666-78-5 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 1,4-Dimethyl 2,3-dihydroxy- (2R,3R)butanedioate608-68-4 D-Gulono-1,4-lactone6322-07-2 Glucono delta-lactone90-80-2

Elsewhere

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