Molecule ID: 118797968

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

Description: The molecule is a beta-D-glucoside that is beta-D-glucopyranose in which the anomeric hydroxy hydrogen is replaced by a but-3-yn-1-yl group. It derives from a but-3-yn-1-ol.

SMILES: C#CCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

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

InChI: InChI=1S/C10H16O6/c1-2-3-4-15-10-9(14)8(13)7(12)6(5-11)16-10/h1,6-14H,3-5H2/t6-,7-,8+,9-,10-/m1/s1

Molecular Properties:
- Polar Surface Area: 99.4 Ų
- LogP: -1.6