O,O′-Di-p-toluoyl-L-tartaric acid | SBID = 121 | Compound | Pubchem logo

Struc Structure

Molecular Properties

Interactions: 1
PubChem TPSA/Å2: 127.0
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 3.3
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: 289.1
Sum Formula: C20H18O8
M / g/mol: 386.356
Complexity: 533.0
Number of Conformers: 10.0

Identifiers

  • Tags:
  • Name: O,O′-Di-p-toluoyl-L-tartaric acid
  • Preferred Abbreviation: O,O′-Di-p-toluoyl-L-tartaric acid
  • IUPAC Name: (2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid
  • CAS: 32634-66-5
  • CID: 3037000
  • 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
  • CanoSmiles: CC1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O
  • IsoSmiles: 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