Molecule ID: 92136146

IUPAC Name: (4S,5S)-4,5-dihydroxy-2-oxo-6-sulfonatohexanoate

Description: The molecule is a carbohydrate acid derivative anion obtained by deprotonation of the carboxy and sulfo groups of 2-dehydro-3,6-dideoxy-6-sulfo-D-gluconnic 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 2-dehydro-3,6-dideoxy-6-sulfo-D-gluconic acid.

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

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

InChI: InChI=1S/C6H10O8S/c7-3(1-4(8)6(10)11)5(9)2-15(12,13)14/h3,5,7,9H,1-2H2,(H,10,11)(H,12,13,14)/p-2/t3-,5+/m0/s1

Molecular Properties:
- Polar Surface Area: 163.0 Ų
- LogP: -2.2