Molecule ID: 92136161

IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(4-nitrophenoxy)oxan-2-yl]methyl dihydrogen phosphate

Description: The molecule is a galactose phosphate that is 4-nitrophenyl beta-D-galactoside substituted at position 6 by a monophosphate group. It has a role as a chromogenic compound. It is a beta-D-galactoside, a galactose phosphate and a C-nitro compound. It derives from a 4-nitrophenol and a beta-D-galactose 6-phosphate.

SMILES: O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@H](O)[C@H]2O)cc1

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

InChI: InChI=1S/C12H16NO11P/c14-9-8(5-22-25(19,20)21)24-12(11(16)10(9)15)23-7-3-1-6(2-4-7)13(17)18/h1-4,8-12,14-16H,5H2,(H2,19,20,21)/t8-,9+,10+,11-,12-/m1/s1

Molecular Properties:
- Polar Surface Area: 192.0 Ų
- LogP: -2.1