beta-Gentiobiose
(2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
Also Known As: Gentiobiose|beta-Gentiobiose|galacturonate|melibiose|Amygdalose|Gentiobiose, beta-||A-Gentiobiose|beta -Gentiobiose|Gentiobiose beta-|Glcbeta1-6Glcbeta|Glcb1-6Glcb|I(2)-Gentiobiose|Gentiobiose, .beta.-|Gentiobiose beta-form [MI]|GlyTouCan:G09183JD|Epitope ID:241101|6-O-beta-D-glucopyranosyl-D-glucopyranose|beta-D-Glcp-(1->6)-beta-D-Glcp|beta-gentiobiose (closed ring)|6-O-beta-D-glucopyranosyl-D-glucose|6-O-b-D-Glucopyranosyl-b-D-glucopyranose|6-o-beta-D-Glucopyranosyl-beta-D-glucose|G09183JD|beta-D-Glc-(1->6)-beta-D-Glc|beta-D-Glucose, 6-o-beta-D-glucopyranosyl-|GENTIOBIOSE .BETA.-FORM [MI]|6-O-beta-D-glucopyranosyl-beta-D-glucopyranose|NCGC00142607-01|beta-D-glucosyl-(1->6)-beta-D-glucose
| Molecular Formula | C12H22O11 |
|---|---|
| Molecular Weight | 342.1162 g/mol |
| LogP | -4.7 |
| 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 | 554-91-6 |
|---|---|
| SMILES | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)O)O)O)O)O)O)O |
| InChIKey | DLRVVLDZNNYCBX-LIZSDCNHSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-Gentiobiose (CAS 554-91-6), with molecular formula C12H22O11 and molecular weight 342.1162 g/mol. IUPAC: (2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol.