Molecule ID: 46878463

IUPAC Name: 3-[3-[(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]propanoyl]benzoate

Description: The molecule is a 5-oxo monocarboxylic acid anion that is the conjugate base of dehypoxanthine futalosine. It is a conjugate base of a dehypoxanthine futalosine.

SMILES: O=C([O-])c1cccc(C(=O)CC[C@H]2OC(O)[C@H](O)[C@@H]2O)c1

SELFIES: [O][=C][Branch1][C][O-1][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][C@H1][O][C][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Ring1][#Branch1][O][=C][Ring2][Ring1][C]

InChI: InChI=1S/C14H16O7/c15-9(7-2-1-3-8(6-7)13(18)19)4-5-10-11(16)12(17)14(20)21-10/h1-3,6,10-12,14,16-17,20H,4-5H2,(H,18,19)/p-1/t10-,11-,12-,14?/m1/s1

Molecular Properties:
- Polar Surface Area: 127.0 Ų
- LogP: 0.0