Molecule ID: 54758622

IUPAC Name: (3-hydroxy-2,4-dioxopentyl) phosphate

Description: The molecule is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 3-hydroxy-2,4-pentanedione 5-phosphate; major species at pH 7.3. It has a role as a bacterial metabolite. It is a conjugate base of a 3-hydroxy-2,4-dioxopentyl phosphate.

SMILES: CC(=O)C(O)C(=O)COP(=O)([O-])[O-]

SELFIES: [C][C][=Branch1][C][=O][C][Branch1][C][O][C][=Branch1][C][=O][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O-1]

InChI: InChI=1S/C5H9O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h5,8H,2H2,1H3,(H2,9,10,11)/p-2

Molecular Properties:
- Polar Surface Area: 127.0 Ų
- LogP: -2.7