Molecule ID: 11170991

IUPAC Name: (4S)-4,5-dihydroxypentane-2,3-dione

Description: The molecule is pentane substituted at the 2- and 3-positions by oxo groups, at the 4- and 5-positions by hydroxy groups and with S stereoconfiguration at C-4. It has a role as an Escherichia coli metabolite. It is an alpha-diketone and a secondary alpha-hydroxy ketone.

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

SELFIES: [C][C][=Branch1][C][=O][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][O]

InChI: InChI=1S/C5H8O4/c1-3(7)5(9)4(8)2-6/h4,6,8H,2H2,1H3/t4-/m0/s1

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: -1.7