Z9H
Summary
| Name: | 3,4-di-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranose |
| Formula: | C8 H16 O12 S2 |
| Formal charge: | 0 |
| Formula weight: | 368.335 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3,4-di-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranose |
| OpenEye OEToolkits | 1.7.6 | [(2S,3R,4S,5R,6R)-4,5-dimethoxy-2-oxidanyl-6-(sulfooxymethyl)oxan-3-yl] hydrogen sulfate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(O)OCC1OC(O)C(OS(=O)(=O)O)C(OC)C1OC |
| InChI | InChI | 1.03 | InChI=1S/C8H16O12S2/c1-16-5-4(3-18-21(10,11)12)19-8(9)7(6(5)17-2)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 | KXJTXUUGBKCQJT-CBQIKETKSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CO[C@@H]1[C@@H](CO[S](O)(=O)=O)O[C@H](O)[C@H](O[S](O)(=O)=O)[C@H]1OC |
| SMILES | CACTVS | 3.370 | CO[CH]1[CH](CO[S](O)(=O)=O)O[CH](O)[CH](O[S](O)(=O)=O)[CH]1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC)OS(=O)(=O)O)O)COS(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | COC1C(OC(C(C1OC)OS(=O)(=O)O)O)COS(=O)(=O)O |
