Molecule ID: 92136144

IUPAC Name: (2R,3S,4S,5S)-2,3,4,5-tetrahydroxy-6-sulfonatohexanoate

Description: The molecule is a carbohydrate acid derivative anion obtained by deprotonation of the carboxy and sulfo groups of 6-deoxy-6-sulfo-D-gluconic acid; major species at pH 7.3. It is a carbohydrate acid derivative anion, a monocarboxylic acid anion and an organosulfonate oxoanion. It is a conjugate base of a 6-deoxy-6-sulfo-D-gluconic acid.

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

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

InChI: InChI=1S/C6H12O9S/c7-2(1-16(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H,13,14,15)/p-2/t2-,3-,4+,5-/m1/s1

Molecular Properties:
- Polar Surface Area: 187.0 Ų
- LogP: -3.2