Molecule ID: 86289119

IUPAC Name: [(2S,3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methanesulfonate

Description: The molecule is an organosulfonate oxoanion that is the conjugate base of 6-deoxy-6-sulfo-D-fructofuranose, obtained by deprotonation of the sulfonate OH group; major species at pH 7.3. It is a conjugate base of a 6-deoxy-6-sulfo-D-fructofuranose.

SMILES: O=S(=O)([O-])C[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O

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

InChI: InChI=1S/C6H12O8S/c7-2-6(10)5(9)4(8)3(14-6)1-15(11,12)13/h3-5,7-10H,1-2H2,(H,11,12,13)/p-1/t3-,4-,5+,6?/m1/s1

Molecular Properties:
- Polar Surface Area: 156.0 Ų
- LogP: -3.3