chempirical

Diisopropyl (-)-tartrate

C10H18O6CAS 62961-64-2234.25 g/mol

Open in Covalent MOL file
OOOHOHOO
AlcoholEster

Properties

Molecular formula
C10H18O6
Molar mass
234.25 g/mol
Exact mass
234.1103 Da
logP
-0.39Crippen estimate
Polar surface area
93.1 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
5
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
62961-64-2
SMILES
CC(C)OC(=O)[C@@H](O)[C@H](O)C(=O)OC(C)C
InChIKey
XEBCWEDRGPSHQH-YUMQZZPRSA-N
InChI
InChI=1S/C10H18O6/c1-5(2)15-9(13)7(11)8(12)10(14)16-6(3)4/h5-8,11-12H,1-4H3/t7-,8-/m0/s1

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

Names and synonyms

11 names
  • Butanedioic acid, 2,3-dihydroxy-, 1,4-bis(1-methylethyl) ester, (2S,3S)-
  • Butanedioic acid, 2,3-dihydroxy-, bis(1-methylethyl) ester, [S-(R*,R*)]-
  • Butanedioic acid, 2,3-dihydroxy-, bis(1-methylethyl) ester, (2S,3S)-
  • Diisopropyl D-tartrate
  • D-(-)-Diisopropyl tartrate
  • Diisopropyl D-(-)-tartrate
  • Diisopropyl (-)-D-tartrate
  • D-(-)-Tartaric acid diisopropyl ester
  • (-)-DIPT
  • Diisopropyl (S,S)-tartrate
  • (2S,3S)-Diisopropyl tartrate

Work with Diisopropyl (-)-tartrate

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

1-Methylethyl (2S)-2-hydroxypropanoate63697-00-764 % similar Isopropyl isobutyrate617-50-558 % similar Dimethyl (2S,3S)-2,3-dihydroxybutanedioate13171-64-752 % similar 1,4-Dimethyl 2,3-dihydroxy- (2R,3R)butanedioate608-68-452 % similar L-Alanine isopropyl ester hydrochloride62062-65-147 % similar (-)-Diethyl tartrate13811-71-746 % similar Diethyl tartrate87-91-246 % similar Isopropyl chloroformate108-23-646 % similar

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

Same formula

1,8-Diacetoxy-3,6-dioxaoctane111-21-7 Di-sec-butyl peroxydicarbonate19910-65-7 Diisopropyl tartrate2217-15-4

Elsewhere

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