O,O′-dibenzoyl-d-tartaric acid | SBID = 118 | Compound | Pubchem logo

Struc Structure

Molecular Properties

Interactions: 1
PubChem TPSA/Å2: 127.0
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 2.6
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 2.0
Number of H-Bond Acceptors: 8.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 2.0
3D Volume/Å3: 263.9
Sum Formula: C18H14O8
M / g/mol: 358.302
Complexity: 483.0
Number of Conformers: 10.0

Identifiers

  • Tags: typical guest
  • Name: O,O′-dibenzoyl-d-tartaric acid
  • Preferred Abbreviation: Dibenzoyl-D-tartaric acid
  • IUPAC Name: (2S,3S)-2,3-dibenzoyloxybutanedioic acid
  • CAS: 17026-42-5
  • CID: 1550213
  • 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
  • CanoSmiles: C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O
  • IsoSmiles: C1=CC=C(C=C1)C(=O)O[C@@H]([C@@H](C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O