K3Q
Summary
| Name: | 3,6-O-dimethyl-D-glucose |
| Formula: | C8 H16 O6 |
| Formal charge: | 0 |
| Formula weight: | 208.209 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R},4~{S},5~{R},6~{R})-4-methoxy-6-(methoxymethyl)oxane-2,3,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H16O6/c1-12-3-4-5(9)7(13-2)6(10)8(11)14-4/h4-11H,3H2,1-2H3/t4-,5-,6-,7+,8-/m1/s1 |
| InChIKey | InChI | 1.03 | HXTJYTSBXOATMS-UIAUGNHASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC[C@H]1O[C@@H](O)[C@H](O)[C@@H](OC)[C@@H]1O |
| SMILES | CACTVS | 3.385 | COC[CH]1O[CH](O)[CH](O)[CH](OC)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)OC)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COCC1C(C(C(C(O1)O)O)OC)O |
