(+)-Di-p-toluoyl-D-tartaric acid

C₂₀H₁₈O₈CAS 32634-68-7386.36 g/mol

Open in Covalent MOL file

Carboxylic acid Ester

Properties

Molecular formula: C₂₀H₁₈O₈
Molar mass: 386.36 g/mol
Exact mass: 386.1002 Da
Melting point: 162–163 °C
logP: 2.22Crippen estimate
Polar surface area: 127.2 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 7
Stereocentres: S, Sin SMILES atom order

Hazards

Warning

H317 May cause an allergic skin reaction10.7% of notifiers
H319 Causes serious eye irritation23.2% of notifiers
H412 Harmful to aquatic life with long lasting effects10.7% of notifiers

Aggregated from 56 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

32634-68-7

SMILES

Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1

InChIKey

CMIBUZBMZCBCAT-HOTGVXAUSA-N

InChI

InChI=1S/C20H18O8/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24)/t15-,16-/m0/s1

Weigh it out

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

Names and synonyms

24 names · show all

Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, (2S,3S)-
Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, [S-(R*,R*)]-
Tartaric acid, di-p-toluate, (+)-
p-Toluic acid, diester with D-tartaric acid
(2S,3S)-2,3-Bis[(4-methylbenzoyl)oxy]butanedioic acid
(+)-Di-O-p-toluoyl-D-tartaric acid
(+)-O,O-Di-p-toluoyltartaric acid
(+)-Di-p-toluoyltartaric acid
Di-p-toluoyl-l-tartaric acid
(+)-Di-O,O′-p-toluoyltartaric acid
(+)-Bis-O,O′-(4-toluoyl)-D-tartrate
Di-p-toluoyl-D-tartaric acid
(2S,3S)-(+)-Di-p-toluoyltartaric acid
D-Di-O,O′-p-toluyltartaric acid
(+)-Ditoluoyltartaric acid
(S,S)-O,O′-Di-p-toluoyltartaric acid
NSC 97592
D-Bis(O-4-methylbenzoyl)tartaric acid
(+)-Di-O-(p-toluoyl)tartaric acid
(+)-Di-O,O′-p-toluyltartaric acid
D-Di-p-toluoyltartaric acid
(2S,3S)-2,3-Bis[(4-methylbenzoyl)oxy]succinic acid
(+)-O,O′-Di-p-toluoyl-D-tartaric acid
Ditoluoyltartaric acid, (+)-

Work with (+)-Di-p-toluoyl-D-tartaric 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

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.

Di-p-toluoyl-D-tartaric acid monohydrate71607-31-3Hydrate Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, hydrate (1:1), (2R,3R)-71607-32-4Hydrate, enantiomer (-)-Di-p-toluoyl-L-tartaric acid32634-66-5Enantiomer (-)-Di-p-toluoyl-L-tartaric acid217968-14-4Enantiomer

Similar compounds

(+)-Dibenzoyltartaric acid17026-42-568 % similar L-Dibenzoyltartaric acid2743-38-668 % similar (S,S)-Di-p-anisoyltartaric acid191605-10-468 % similar (2R,3R)-2,3-Bis((4-methoxybenzoyl)oxy)butanedioic acid50583-51-268 % similar O,O'-Dibenzoyl-(2R,3R)-tartaric acid monohydrate62708-56-962 % similar (+)-Dibenzoyl-D-tartaric acid monohydrate80822-15-762 % similar Methyl p-toluate99-75-251 % similar 1,1-Dimethylethyl 4-methylbenzoate13756-42-847 % similar

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

Same formula

Irisflorentin41743-73-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook