Molecule ID: 46931102

IUPAC Name: (4R,5R)-4,5,6-trihydroxy-3-oxohexanoate

Description: The molecule is the conjugate base of 3-dehydro-2-deoxy-D-gluconic acid; major species at pH 7.3. It is a conjugate base of a 3-dehydro-2-deoxy-D-gluconic acid.

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

SELFIES: [O][=C][Branch1][C][O-1][C][C][=Branch1][C][=O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O]

InChI: InChI=1S/C6H10O6/c7-2-4(9)6(12)3(8)1-5(10)11/h4,6-7,9,12H,1-2H2,(H,10,11)/p-1/t4-,6+/m1/s1

Molecular Properties:
- Polar Surface Area: 118.0 Ų
- LogP: -1.6