2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol
Also Known As: beta-Sophorose|alpha-Sophorose|Sophorose|.BETA.-SOPHOROSE|GlyTouCan:G26080VZ|SureCN991658|SOPHOROSE, .BETA.-|2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose|EINECS 248-089-7|G26080VZ|2-Obeta-D-glucopyranosyl-beta-D-glucopyranose|D-Glucopyranose, 2-O-beta-D-glucopyranosyl-|2-D-glucopyranoside-(2->1)-2-D-glucopyranoside|2-O-I(2)-D-Glucopyranosyl-I(2)-D-glucopyranose|2-O-.BETA.-D-GLUCOPYRANOSYL-.BETA.-D-GLUCOPYRANOSE|.BETA.-D-GLUCOPYRANOSE, 2-O-.BETA.-D-GLUCOPYRANOSYL-|(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxane-2,4,5-triol|(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol|(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2,4,5-triol|(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2,4,5-triol|248-089-7
| Molecular Formula | C12H22O11 |
|---|---|
| Molecular Weight | 342.1162 g/mol |
| LogP | -4.2 |
| Topological Polar Surface Area | 190.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.1162 |
| Monoisotopic Mass | 342.1162 |
| Heavy Atoms | 23 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 20429-79-2 |
|---|---|
| SMILES | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O |
| InChIKey | HIWPGCMGAMJNRG-BTLHAWITSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose (CAS 20429-79-2), with molecular formula C12H22O11 and molecular weight 342.1162 g/mol. IUPAC: (2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol.