GU5
Summary
| Name: | 2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucopyranose |
| Synonyms: | 2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucose 2,3-di-O-methyl-6-O-sulfonato-D-glucose; 2,3-di-O-methyl-6-O-sulfonato-glucose |
| Formula: | C8 H15 O9 S |
| Formal charge: | -1 |
| Formula weight: | 287.264 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucopyranose |
| OpenEye OEToolkits | 1.5.0 | [(2R,3R,4S,5R,6S)-3,6-dihydroxy-4,5-dimethoxy-oxan-2-yl]methyl sulfate |
| GMML | 1.0 | DGlcp[2Me,3Me,6S]a |
| GMML | 1.0 | 2-methyl-3-methyl-6-sulfo-a-D-glucopyranose |
| PDB-CARE | 1.0 | a-D-Glcp2OMe3OMe6SO3 |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-]S(=O)(=O)OCC1OC(O)C(OC)C(OC)C1O |
| SMILES_CANONICAL | CACTVS | 3.341 | CO[C@H]1[C@@H](O)O[C@H](CO[S]([O-])(=O)=O)[C@@H](O)[C@@H]1OC |
| SMILES | CACTVS | 3.341 | CO[CH]1[CH](O)O[CH](CO[S]([O-])(=O)=O)[CH](O)[CH]1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC)O)COS(=O)(=O)[O-])O |
| SMILES | OpenEye OEToolkits | 1.5.0 | COC1C(C(OC(C1OC)O)COS(=O)(=O)[O-])O |
| InChI | InChI | 1.03 | InChI=1S/C8H16O9S/c1-14-6-5(9)4(3-16-18(11,12)13)17-8(10)7(6)15-2/h4-10H,3H2,1-2H3,(H,11,12,13)/p-1/t4-,5?,6+,7-,8+/m1/s1 |
| InChIKey | InChI | 1.03 | SYRNRUURZIIPLL-IINKRSELSA-M |
