chempirical

L-Dibenzoyltartaric acid

C18H14O8CAS 2743-38-6358.30 g/mol

Open in Covalent MOL file
OOOHOOOOHO
Carboxylic acidEster

Properties

Molecular formula
C18H14O8
Molar mass
358.30 g/mol
Exact mass
358.0689 Da
logP
1.61Crippen estimate
Polar surface area
127.2 Ų
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
2743-38-6
SMILES
O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)O)c1ccccc1
InChIKey
YONLFQNRGZXBBF-ZIAGYGMSSA-N
InChI
InChI=1S/C18H14O8/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12/h1-10,13-14H,(H,19,20)(H,21,22)/t13-,14-/m1/s1

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

Names and synonyms

34 names · show all
  • Butanedioic acid, 2,3-bis(benzoyloxy)-, (2R,3R)-
  • Tartaric acid, dibenzoate, (-)-
  • Butanedioic acid, 2,3-bis(benzoyloxy)-, [R-(R*,R*)]-
  • Tartaric acid, dibenzoate
  • (2R,3R)-2,3-Bis(benzoyloxy)butanedioic acid
  • (-)-Dibenzoyltartaric acid
  • (-)-O,O′-Dibenzoyl-L-tartaric acid
  • O,O-Dibenzoyltartaric acid
  • L-(-)-Dibenzoyltartaric acid
  • Dibenzoyl-L-tartaric acid
  • (R,R)-2,3-Dibenzoyloxysuccinic acid
  • 2,3-Di-O-benzoyl-L-tartaric acid
  • 2,3-Dibenzoyl-L-tartaric acid
  • O,O-Dibenzoyl-(R,R)-tartaric acid
  • O2,O3-Dibenzoyl-L-tartaric acid
  • Dibenzoyl-(+)-tartaric acid
  • (-)-2,3-Dibenzoyl-L-tartaric acid
  • (-)-Dibenzoyl-L-tartaric acid
  • (-)-O,O′-Dibenzoyltartaric acid
  • (-)-L-Dibenzoyltartaric acid
  • (R,R)-O,O′-Dibenzoyltartaric acid
  • NSC 118224
  • NSC 338494
  • O,O′-Dibenzoyl-(R,R)-tartaric acid
  • (2R,3R)-2,3-Bis(benzoyloxy)succinic acid
  • (2R,3R)-Di-O-benzoyltartaric acid
  • (2R,3R)-O,O′-Dibenzoyltartaric acid
  • O,O′-Dibenzoyl-(2R,3R)-tartaric acid
  • O,O′-Dibenzoyl-(+)-tartaric acid
  • (L)-DBTA
  • O,O′-Dibenzoyltartaric acid
  • (2R,3R)-(-)-2,3-Bis[(phenylcarbonyl)oxy]butanedioic acid
  • O,O′-Dibenzoyl-L-tartaric acid
  • Dibenzoyltartaric acid

Work with L-Dibenzoyltartaric 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.

O,O'-Dibenzoyl-(2R,3R)-tartaric acid monohydrate62708-56-9Hydrate (+)-Dibenzoyl-D-tartaric acid monohydrate80822-15-7Hydrate, enantiomer (+)-Dibenzoyltartaric acid17026-42-5Enantiomer

Similar compounds

(-)-Di-p-toluoyl-L-tartaric acid217968-14-468 % similar (-)-Di-p-toluoyl-L-tartaric acid32634-66-568 % similar (+)-Di-p-toluoyl-D-tartaric acid32634-68-768 % similar (S,S)-Di-p-anisoyltartaric acid191605-10-464 % similar (2R,3R)-2,3-Bis((4-methoxybenzoyl)oxy)butanedioic acid50583-51-264 % similar Di-p-toluoyl-D-tartaric acid monohydrate71607-31-362 % similar Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, hydrate (1:1), (2R,3R)-71607-32-462 % similar Isopropyl benzoate939-48-055 % similar

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

Same formula

Hydrindantin dihydrate5950-69-6

Elsewhere

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