Molecule ID: 54758623

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

Description: The molecule is a phosphate monoester that is 1,3-dihydroxypentane-2,4-dione carrying a phospho at position 1. It has a role as a bacterial metabolite. It is a beta-diketone, a secondary alcohol, a phosphate monoester, a methyl ketone and a secondary alpha-hydroxy ketone. It is a conjugate acid of a 3-hydroxy-2,4-dioxopentyl phosphate(2-).

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][O]

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)

Molecular Properties:
- Polar Surface Area: 121.0 Ų
- LogP: -2.5