Molecule ID: 132497765

IUPAC Name: [(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid

Description: The molecule is a 6-sulfo-D-quinovose (6-deoxy-6-sulfo-D-glucopyranose) that has beta configuration at the anomeric centre. It is a conjugate acid of a 6-sulfo-beta-D-quinovose(1-).

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

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

InChI: InChI=1S/C6H12O8S/c7-3-2(1-15(11,12)13)14-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12,13)/t2-,3-,4+,5-,6-/m1/s1

Molecular Properties:
- Polar Surface Area: 153.0 Ų
- LogP: -3.6