Molecule ID: 52940108

IUPAC Name: (3R,4S,5R)-3,4,5,6-tetrahydroxyhexanoate

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

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

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

InChI: InChI=1S/C6H12O6/c7-2-4(9)6(12)3(8)1-5(10)11/h3-4,6-9,12H,1-2H2,(H,10,11)/p-1/t3-,4-,6+/m1/s1

Molecular Properties:
- Polar Surface Area: 121.0 Ų
- LogP: -2.2