Molecule ID: 5459832

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

Description: The molecule is the 3-dehydro-2-deoxy derivative of D-gluconic acid. It is a ketoaldonic acid and a hexonic acid. It derives from a D-gluconic acid. It is a conjugate acid of a 3-dehydro-2-deoxy-D-gluconate.

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

SELFIES: [O][=C][Branch1][C][O][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)/t4-,6+/m1/s1

Molecular Properties:
- Polar Surface Area: 115.0 Ų
- LogP: -2.3