Benzyl Beta-D-Glucopyranoside
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL2336738 | |
| PubChem: | 188977 | |
| IUPAC: | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol | |
| Standard InChI: | InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1 | |
| Standard InChI Key: | GKHCBYYBLTXYEV-UJPOAAIJSA-N | |
| SMILES: | OC[C@H]1O[C@@H](OCc2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O | |
Molecular propeties
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| AlogP: | -1 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 2 | |
| Molecular Weight: | 270.11 | |
| Topological polar surface area: | 99.4 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.538 | |
| Number of carbons: | 13 | |