Molecule ID: 49791947

IUPAC Name: [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate

Description: The molecule is dianion of alpha-ribazole 5'-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3. It is a conjugate base of an alpha-ribazole 5'-phosphate.

SMILES: Cc1cc2ncn([C@H]3O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]3O)c2cc1C

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

InChI: InChI=1S/C14H19N2O7P/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(18)12(17)11(23-14)5-22-24(19,20)21/h3-4,6,11-14,17-18H,5H2,1-2H3,(H2,19,20,21)/p-2/t11-,12-,13-,14+/m1/s1

Molecular Properties:
- Polar Surface Area: 140.0 Ų
- LogP: -1.3