Molecule ID: 86289120

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

Description: The molecule is a carbohydrate sulfonate that is D-fructofuranose in which the hydroxy group at at position 6 is replaced by a sulfo group. It has a role as a metabolite. It derives from a D-fructofuranose. It is a conjugate acid of a 6-deoxy-6-sulfo-D-fructofuranose(1-).

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][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)/t3-,4-,5+,6?/m1/s1

Molecular Properties:
- Polar Surface Area: 153.0 Ų
- LogP: -3.3