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

C₂₀H₁₈O₈CAS 217968-14-4386.36 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
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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

217968-14-4

SMILES

CC1=CC=C(C=C1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O

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

1 names

Di-P-toluoyl-L-tartaric acid

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.

Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, hydrate (1:1), (2R,3R)-71607-32-4Hydrate Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, hydrate (1:1), (2S,3S)-71607-31-3Hydrate, enantiomer (+)-Di-p-toluoyl-D-tartaric acid32634-68-7Enantiomer (-)-Di-p-toluoyl-L-tartaric acid32634-66-5

Similar compounds

(+)-Dibenzoyltartaric acid17026-42-568 % similar L-Dibenzoyltartaric acid2743-38-668 % similar (S,S)-Di-p-anisoyltartaric acid191605-10-468 % similar (R,R)-Di-p-anisoyltartaric acid50583-51-268 % similar O,O′-Dibenzoyl-(2R,3R)-tartaric acid monohydrate62708-56-962 % similar D-(+)-Dibenzoyl 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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