Molecule ID: 440431

IUPAC Name: [(2R,3S)-2,3-dihydroxy-3-(1H-imidazol-5-yl)propyl] dihydrogen phosphate

Description: The molecule is a member of sn-glycerol 3-phosphates and a member of imidazoles. It has a role as an Escherichia coli metabolite. It derives from a glycerol. It is a conjugate acid of a D-erythro-1-(imidazol-4-yl)glycerol 3-phosphate(2-).

SMILES: O=P(O)(O)OC[C@@H](O)[C@@H](O)c1cnc[nH]1

SELFIES: [O][=P][Branch1][C][O][Branch1][C][O][O][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][=C][N][=C][NH1][Ring1][Branch1]

InChI: InChI=1S/C6H11N2O6P/c9-5(2-14-15(11,12)13)6(10)4-1-7-3-8-4/h1,3,5-6,9-10H,2H2,(H,7,8)(H2,11,12,13)/t5-,6+/m1/s1

Molecular Properties:
- Polar Surface Area: 136.0 Ų
- LogP: -3.2