GU9
Summary
| Name: | 2,3,6-tri-O-methyl-alpha-D-glucopyranose |
| Synonyms: | 2,3,6-tri-O-methyl-alpha-D-glucose 2,3,6-tri-O-methyl-D-glucose; 2,3,6-tri-O-methyl-glucose |
| Formula: | C9 H18 O6 |
| Formal charge: | 0 |
| Formula weight: | 222.236 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2,3,6-tri-O-methyl-alpha-D-glucopyranose |
| OpenEye OEToolkits | 1.5.0 | (2S,3R,4S,5R,6R)-3,4-dimethoxy-6-(methoxymethyl)oxane-2,5-diol |
| GMML | 1.0 | DGlcp[2Me,3Me,6Me]a |
| GMML | 1.0 | 2-methyl-3-methyl-6-methyl-a-D-glucopyranose |
| PDB-CARE | 1.0 | a-D-Glcp2OMe3OMe6OMe |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O(C)C1C(OC)C(O)C(OC1O)COC |
| SMILES_CANONICAL | CACTVS | 3.341 | COC[C@H]1O[C@H](O)[C@H](OC)[C@@H](OC)[C@@H]1O |
| SMILES | CACTVS | 3.341 | COC[CH]1O[CH](O)[CH](OC)[CH](OC)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OC)OC)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | COCC1C(C(C(C(O1)O)OC)OC)O |
| InChI | InChI | 1.03 | InChI=1S/C9H18O6/c1-12-4-5-6(10)7(13-2)8(14-3)9(11)15-5/h5-11H,4H2,1-3H3/t5-,6?,7+,8-,9+/m1/s1 |
| InChIKey | InChI | 1.03 | LXJBARMBDDODTG-MSMGWUHYSA-N |
