Molecule ID: 668

IUPAC Name: (3-hydroxy-2-oxopropyl) dihydrogen phosphate

Description: The molecule is a member of the class of glycerone phosphates that consists of glycerone bearing a single phospho substituent. It has a role as a human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a primary alpha-hydroxy ketone and a member of glycerone phosphates. It derives from a dihydroxyacetone. It is a conjugate acid of a glycerone phosphate(2-).

SMILES: O=C(CO)COP(=O)(O)O

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

InChI: InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H2,6,7,8)

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: -2.5