Molecule ID: 14559021

IUPAC Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2,2,2-trichloroethoxy)oxane-3,4,5-triol

Description: The molecule is a beta-D-glucoside in which the anomeric substituent is specified as 2,2,2-trichloroethyl. It has a role as a metabolite. It is an organochlorine compound and a beta-D-glucoside.

SMILES: OC[C@H]1O[C@@H](OCC(Cl)(Cl)Cl)[C@H](O)[C@@H](O)[C@@H]1O

SELFIES: [O][C][C@H1][O][C@@H1][Branch1][O][O][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][=C][O]

InChI: InChI=1S/C8H13Cl3O6/c9-8(10,11)2-16-7-6(15)5(14)4(13)3(1-12)17-7/h3-7,12-15H,1-2H2/t3-,4-,5+,6-,7-/m1/s1

Molecular Properties:
- Polar Surface Area: 99.4 Ų
- LogP: -0.3