3MG
Summary
| Name: | 3-O-methyl-beta-D-glucopyranose |
| Synonyms: | 3-O-methyl-beta-D-glucose 3-O-methyl-D-glucose; 3-O-methyl-glucose |
| Formula: | C7 H14 O6 |
| Formal charge: | 0 |
| Formula weight: | 194.182 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-O-methyl-beta-D-glucopyranose |
| OpenEye OEToolkits | 1.5.0 | (2R,3R,4S,5R,6R)-6-(hydroxymethyl)-4-methoxy-oxane-2,3,5-triol |
| GMML | 1.0 | DGlcp[3Me]b |
| GMML | 1.0 | 3-methyl-b-D-glucopyranose |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O(C1C(O)C(OC(O)C1O)CO)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CO[C@@H]1[C@@H](O)[C@H](O)O[C@H](CO)[C@H]1O |
| SMILES | CACTVS | 3.341 | CO[CH]1[CH](O)[CH](O)O[CH](CO)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | COC1C(C(OC(C1O)O)CO)O |
| InChI | InChI | 1.03 | InChI=1S/C7H14O6/c1-12-6-4(9)3(2-8)13-7(11)5(6)10/h3-11H,2H2,1H3/t3-,4-,5-,6+,7-/m1/s1 |
| InChIKey | InChI | 1.03 | SCBBSJMAPKXHAH-BNWJMWRWSA-N |
