Molecule ID: 792

IUPAC Name: [3-(1H-imidazol-5-yl)-2-oxopropyl] dihydrogen phosphate

Description: The molecule is an oxoalkyl phosphate and a member of imidazoles. It has a role as an Escherichia coli metabolite. It is a conjugate acid of a 3-(imidazol-4-yl)-2-oxopropyl phosphate(2-).

SMILES: O=C(COP(=O)(O)O)Cc1cnc[nH]1

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

InChI: InChI=1S/C6H9N2O5P/c9-6(3-13-14(10,11)12)1-5-2-7-4-8-5/h2,4H,1,3H2,(H,7,8)(H2,10,11,12)

Molecular Properties:
- Polar Surface Area: 113.0 Ų
- LogP: -2.0