PDX
Summary
| Name: | 2,3-di-O-sulfo-alpha-D-glucopyranose |
| Synonyms: | 2,3-di-O-sulfo-alpha-D-glucose 2,3-di-O-sulfo-D-glucose; 2,3-di-O-sulfo-glucose |
| Formula: | C6 H12 O12 S2 |
| Formal charge: | 0 |
| Formula weight: | 340.282 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2,3-di-O-sulfo-alpha-D-glucopyranose |
| OpenEye OEToolkits | 1.5.0 | [(2S,3R,4S,5R,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-sulfooxy-oxan-3-yl] hydrogen sulfate |
| GMML | 1.0 | DGlcp[2S,3S]a |
| GMML | 1.0 | 2-sulfo-3-sulfo-a-D-glucopyranose |
| PDB-CARE | 1.0 | a-D-Glcp2SO33SO3 |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(O)OC1C(O)C(OC(O)C1OS(=O)(=O)O)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@H](O)[C@H](O[S](O)(=O)=O)[C@@H](O[S](O)(=O)=O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | OC[CH]1O[CH](O)[CH](O[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C1C(C(C(C(O1)O)OS(=O)(=O)O)OS(=O)(=O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H12O12S2/c7-1-2-3(8)4(17-19(10,11)12)5(6(9)16-2)18-20(13,14)15/h2-9H,1H2,(H,10,11,12)(H,13,14,15)/t2-,3-,4+,5-,6+/m1/s1 |
| InChIKey | InChI | 1.03 | ORUZACWROKWTRH-DVKNGEFBSA-N |
