GU3
Summary
| Name: | methyl 3-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranoside |
| Synonyms: | methyl 3-O-methyl-2,6-di-O-sulfo-alpha-D-glucoside methyl 3-O-methyl-2,6-di-O-sulfo-D-glucoside; methyl 3-O-methyl-2,6-di-O-sulfo-glucoside |
| Formula: | C8 H16 O12 S2 |
| Formal charge: | 0 |
| Formula weight: | 368.335 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | methyl 3-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranoside |
| OpenEye OEToolkits | 1.5.0 | [(2R,3R,4S,5R,6S)-3-hydroxy-4,6-dimethoxy-5-sulfooxy-oxan-2-yl]methyl hydrogen sulfate |
| GMML | 1.0 | DGlcp[1Me,2S,3Me,6S]a |
| GMML | 1.0 | 1-methyl-2-sulfo-3-methyl-6-sulfo-a-D-glucopyranose |
| PDB-CARE | 1.0 | methyl 3-o-methyl-2,6-di-o-sulfonato-a-D-glucopyranoside |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(O)OCC1OC(OC)C(OS(=O)(=O)O)C(OC)C1O |
| SMILES_CANONICAL | CACTVS | 3.341 | CO[C@H]1O[C@H](CO[S](O)(=O)=O)[C@@H](O)[C@H](OC)[C@H]1O[S](O)(=O)=O |
| SMILES | CACTVS | 3.341 | CO[CH]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](OC)[CH]1O[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OS(=O)(=O)O)OC)COS(=O)(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | COC1C(C(OC(C1OS(=O)(=O)O)OC)COS(=O)(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H16O12S2/c1-16-6-5(9)4(3-18-21(10,11)12)19-8(17-2)7(6)20-22(13,14)15/h4-9H,3H2,1-2H3,(H,10,11,12)(H,13,14,15)/t4-,5-,6+,7-,8+/m1/s1 |
| InChIKey | InChI | 1.03 | GFHCIIGKYHICQU-CBQIKETKSA-N |
