Molecule ID: 92136129

IUPAC Name: [(2S,3S,4S,5R)-3,4,5-trihydroxy-6-oxooxan-2-yl]methanesulfonate

Description: The molecule is an organosulfonate oxoanion that is the conjugate base of 6-deoxy-6-sulfoglucono-1,5-lactone, obtained by deprotonation of the sulfo group; major species at pH 7.3. It is a conjugate base of a 6-deoxy-6-sulfoglucono-1,5-lactone.

SMILES: O=C1O[C@H](CS(=O)(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O

SELFIES: [O][=C][O][C@H1][Branch1][#Branch2][C][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][=N][O]

InChI: InChI=1S/C6H10O8S/c7-3-2(1-15(11,12)13)14-6(10)5(9)4(3)8/h2-5,7-9H,1H2,(H,11,12,13)/p-1/t2-,3-,4+,5-/m1/s1

Molecular Properties:
- Polar Surface Area: 153.0 Ų
- LogP: -3.1