JHM
Summary
| Name: | 2-deoxy-6-O-sulfo-alpha-D-glucopyranose |
| Synonyms: | 2-deoxy-6-O-sulfo-alpha-D-arabino-hexopyranose 2-deoxy-6-O-sulfo-alpha-D-glucose; 2-deoxy-6-O-sulfo-D-glucose; 2-deoxy-6-O-sulfo-glucose |
| Formula: | C6 H12 O8 S |
| Formal charge: | 0 |
| Formula weight: | 244.22 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-deoxy-6-O-sulfo-alpha-D-arabino-hexopyranose |
| OpenEye OEToolkits | 1.7.0 | [(2R,3S,4R,6S)-3,4,6-trihydroxyoxan-2-yl]methyl hydrogen sulfate |
| PDB-CARE | 1.0 | a-D-2-deoxy-Glcp6SO3 |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(O)OCC1OC(O)CC(O)C1O |
| SMILES_CANONICAL | CACTVS | 3.370 | O[C@@H]1C[C@@H](O)[C@H](O)[C@@H](CO[S](O)(=O)=O)O1 |
| SMILES | CACTVS | 3.370 | O[CH]1C[CH](O)[CH](O)[CH](CO[S](O)(=O)=O)O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C1[C@H]([C@@H]([C@H](O[C@@H]1O)COS(=O)(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C1C(C(C(OC1O)COS(=O)(=O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H12O8S/c7-3-1-5(8)14-4(6(3)9)2-13-15(10,11)12/h3-9H,1-2H2,(H,10,11,12)/t3-,4-,5+,6+/m1/s1 |
| InChIKey | InChI | 1.03 | GDISEEDIIABUSR-ZXXMMSQZSA-N |
