Diisopropyl (-)-tartrate

C₁₀H₁₈O₆CAS 62961-64-2234.25 g/mol

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Properties

Molecular formula: C₁₀H₁₈O₆
Molar mass: 234.25 g/mol
Exact mass: 234.1103 Da
logP: -0.39Crippen estimate
Polar surface area: 93.1 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 5
Stereocentres: S, Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation85.7% of notifiers
H319 Causes serious eye irritation85.7% of notifiers
H335 May cause respiratory irritation85.7% of notifiers

Aggregated from 14 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

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.

Diisopropyl tartrate2217-15-4Enantiomer

Similar compounds

Isopropyl lactate617-51-664 % similar 1-Methylethyl (2S)-2-hydroxypropanoate63697-00-764 % similar Isopropyl isobutyrate617-50-558 % similar Dimethyl (2S,3S)-2,3-dihydroxybutanedioate13171-64-752 % similar Dimethyl 2,3-dihydroxybutanedioate5057-96-552 % similar 1,4-Dimethyl 2,3-dihydroxy- (2R,3R)butanedioate608-68-452 % similar L-Alanine isopropyl ester hydrochloride39825-33-747 % similar L-Alanine isopropyl ester hydrochloride62062-65-147 % 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

Elsewhere

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