Molecule ID: 70698336

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

Description: The molecule is a monoalkyl phosphate that is pentane substituted at positions 3 and 4 by oxo groups, at position 2 by a hydroxy group and at position 1 by a phosphooxy group (the S-enantiomer). It is a monoalkyl phosphate, an alpha-diketone, a secondary alcohol and a secondary alpha-hydroxy ketone. It is a conjugate acid of a (2S)-2-hydroxy-3,4-diketopentyl phosphate(2-).

SMILES: CC(=O)C(=O)[C@@H](O)COP(=O)(O)O

SELFIES: [C][C][=Branch1][C][=O][C][=Branch1][C][=O][C@@H1][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/h4,7H,2H2,1H3,(H2,9,10,11)/t4-/m0/s1

Molecular Properties:
- Polar Surface Area: 121.0 Ų
- LogP: -2.8