Molecule ID: 56836117

IUPAC Name: [(2R,3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate

Description: The molecule is a monosaccharide sulfate that is beta-D-glucopyranose in which the hydroxy group at position 3 has been converted into the corresponding hydrogen sulfate derivative. It derives from a beta-D-glucose.

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

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

InChI: InChI=1S/C6H12O9S/c7-1-2-3(8)5(15-16(11,12)13)4(9)6(10)14-2/h2-10H,1H2,(H,11,12,13)/t2-,3-,4-,5+,6-/m1/s1

Molecular Properties:
- Polar Surface Area: 162.0 Ų
- LogP: -3.0