Molecule ID: 71296184

IUPAC Name: [(2R,3S,4R,5S)-5-(4-aminophenyl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

Description: The molecule is a ribose monophosphate that is 4-(beta-D-ribofuranosyl)aminobenzene carrying a single monophospate substituent at position 5'. It is a ribose monophosphate, a C-glycosyl compound and a substituted aniline. It is a conjugate acid of a 4-(beta-D-ribofuranosyl)aminobenzene 5'-phosphate(2-).

SMILES: Nc1ccc([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)cc1

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

InChI: InChI=1S/C11H16NO7P/c12-7-3-1-6(2-4-7)11-10(14)9(13)8(19-11)5-18-20(15,16)17/h1-4,8-11,13-14H,5,12H2,(H2,15,16,17)/t8-,9-,10-,11+/m1/s1

Molecular Properties:
- Polar Surface Area: 143.0 Ų
- LogP: -2.2