B8D
Summary
| Name: | 4-O-methyl-alpha-D-glucopyranose |
| Synonyms: | 4-O-methyl-alpha-D-glucose 4-O-methyl-D-glucose; 4-O-methyl-glucose |
| Formula: | C7 H14 O6 |
| Formal charge: | 0 |
| Formula weight: | 194.182 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | 4-O-methyl-alpha-D-glucopyranose |
| OpenEye OEToolkits | 1.6.1 | (2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-methoxy-oxane-2,3,4-triol |
| GMML | 1.0 | DGlcp[4Me]a |
| GMML | 1.0 | 4-methyl-a-D-glucopyranose |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | OC1C(OC)C(OC(O)C1O)CO |
| SMILES_CANONICAL | CACTVS | 3.352 | CO[C@H]1[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]1CO |
| SMILES | CACTVS | 3.352 | CO[CH]1[CH](O)[CH](O)[CH](O)O[CH]1CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O)CO |
| SMILES | OpenEye OEToolkits | 1.7.0 | COC1C(OC(C(C1O)O)O)CO |
| InChI | InChI | 1.03 | InChI=1S/C7H14O6/c1-12-6-3(2-8)13-7(11)5(10)4(6)9/h3-11H,2H2,1H3/t3-,4-,5-,6-,7+/m1/s1 |
| InChIKey | InChI | 1.03 | UGQUOHHDWLIZQM-GKHCUFPYSA-N |
