chempirical

(+)-Dibenzoyltartaric acid

C18H14O8CAS 17026-42-5358.30 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
Melting point
170 °C (decomposes)
logP
1.61Crippen estimate
Polar surface area
127.2 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
7
Stereocentres
S, Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 66 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
17026-42-5
SMILES
O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1ccccc1)C(=O)O)c1ccccc1
InChIKey
YONLFQNRGZXBBF-KBPBESRZSA-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-/m0/s1

Weigh it out

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

Names and synonyms

27 names · show all
  • Butanedioic acid, 2,3-bis(benzoyloxy)-, (2S,3S)-
  • Tartaric acid, dibenzoate, (+)-
  • Butanedioic acid, 2,3-bis(benzoyloxy)-, [S-(R*,R*)]-
  • (2S,3S)-2,3-Bis(benzoyloxy)butanedioic acid
  • (+)-O,O-Dibenzoyltartaric acid
  • (2S,3S)-(+)-Dibenzoyltartaric acid
  • O,O′-Dibenzoyl-(-)-tartaric acid
  • Dibenzoyl-(-)-tartaric acid
  • D-(+)-Dibenzoyltartaric acid
  • Dibenzoyl-D-tartaric acid
  • D-Dibenzoyltartaric acid
  • (+)-2,3-Dibenzoyl-D-tartaric acid
  • (+)-D-Dibenzoyltartaric acid
  • (S,S)-O,O′-Dibenzoyltartaric acid
  • (+)-Dibenzoyl-D-tartaric acid
  • (2S,3S)-(+)-Di-O-benzoyltartaric acid
  • NSC 97424
  • (+)-Di-O-benzoyl-D-tartaric acid
  • O,O′-Dibenzoyl-D-tartaric acid
  • 2,3-Dibenzoyl-D-tartaric acid
  • (2S,3S)-2,3-Bis(benzoyloxy)succinic acid
  • (-)-O,O′-Dibenzoyl-(2S,3S)-tartaric acid
  • D-(+)-Di-O,O-benzoyltartaric acid
  • O,O′-Dibenzoyl-(2S,3S)-tartaric acid
  • (+)-(2S,3S)-Dibenzoyltartaric acid
  • (+)-O,O′-Dibenzoyl-D-tartaric acid
  • O-Dibenzoyl-D-tartaric acid

Work with (+)-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, enantiomer (+)-Dibenzoyl-D-tartaric acid monohydrate80822-15-7Hydrate L-Dibenzoyltartaric acid2743-38-6Enantiomer

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

PubChem CAS Common Chemistry NIST WebBook