(-)-Di-p-toluoyl-L-tartaric acid

C₂₀H₁₈O₈CAS 32634-66-5386.36 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: 146–147 °C
logP: 2.22Crippen estimate
Polar surface area: 127.2 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 7
Stereocentres: R, Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation25% of notifiers
H319 Causes serious eye irritation75% of notifiers
H335 May cause respiratory irritation20.8% of notifiers

Aggregated from 24 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

32634-66-5

SMILES

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

InChIKey

CMIBUZBMZCBCAT-HZPDHXFCSA-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-/m1/s1

Weigh it out

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

Names and synonyms

20 names · show all

Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, (2R,3R)-
Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, [R-(R*,R*)]-
(2R,3R)-2,3-Bis[(4-methylbenzoyl)oxy]butanedioic acid
(-)-Di-O-p-toluoyl-L-tartaric acid
(-)-O,O-Di-p-toluoyltartaric acid
Di-p-Toluoyl-d-tartaric acid
(-)-Di-p-toluoyltartaric acid
(-)-Di-O,O′-p-toluoyltartaric acid
Tartaric acid, di-p-toluate
Di-p-toluoyl-L-tartaric acid
(2R,3R)-(-)-Di(p-toluoyl)tartaric acid
Di-4-toluoyl-L-tartaric acid
L-Di-O,O′-p-toluyltartaric acid
(R,R)-O,O′-Di-p-toluoyltartaric acid
(-)-Di-O,O' p-toluyltartaric acid
O,O′-Di-p-toluoyl-(2R,3R)-tartaric acid
L-Di-p-toluoyltartaric acid
(-)-O,O′-Di-p-toluoyl-L-tartaric acid
(2R,3R)-2,3-Bis[(4-methylbenzoyl)oxy]succinic acid
L-(-)-DTTA

Work with (-)-Di-p-toluoyl-L-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, enantiomer Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, hydrate (1:1), (2R,3R)-71607-32-4Hydrate (+)-Di-p-toluoyl-D-tartaric acid32634-68-7Enantiomer (-)-Di-p-toluoyl-L-tartaric acid217968-14-4

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

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