MGL
Summary
Name: | methyl beta-D-glucopyranoside |
Synonyms: | O1-METHYL-GLUCOSE methyl beta-D-glucoside; methyl D-glucoside; methyl glucoside |
Formula: | C7 H14 O6 |
Formal charge: | 0 |
Formula weight: | 194.182 Da |
Component type: | D-saccharide |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | methyl beta-D-glucopyranoside |
OpenEye OEToolkits | 1.5.0 | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-oxane-3,4,5-triol |
GMML | 1.0 | DGlcp[1Me]b |
GMML | 1.0 | 1-methyl-b-D-glucopyranose |
PDB-CARE | 1.0 | o1-methyl-glucose |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | OC1C(O)C(O)C(OC1OC)CO |
SMILES_CANONICAL | CACTVS | 3.341 | CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
SMILES | CACTVS | 3.341 | CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | COC1C(C(C(C(O1)CO)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1 |
InChIKey | InChI | 1.03 | HOVAGTYPODGVJG-XUUWZHRGSA-N |