GNX
Summary
| Name: | 2-deoxy-3-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose |
| Synonyms: | 2-deoxy-3-O-sulfo-2-(sulfoamino)-alpha-D-glucose 2-deoxy-3-O-sulfo-2-(sulfoamino)-D-glucose; 2-deoxy-3-O-sulfo-2-(sulfoamino)-glucose |
| Formula: | C6 H13 N O11 S2 |
| Formal charge: | 0 |
| Formula weight: | 339.298 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-deoxy-3-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose |
| OpenEye OEToolkits | 1.7.2 | [(2S,3R,4R,5R,6R)-6-(hydroxymethyl)-2,5-bis(oxidanyl)-4-sulfooxy-oxan-3-yl]sulfamic acid |
| GMML | 1.0 | DGlcpNS[3S]a |
| GMML | 1.0 | N-sulfo-3-sulfo-a-D-glucopyranose |
| PDB-CARE | 1.0 | a-D-GlcpNSO33SO3 |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(O)OC1C(O)C(OC(O)C1NS(=O)(=O)O)CO |
| InChI | InChI | 1.03 | InChI=1S/C6H13NO11S2/c8-1-2-4(9)5(18-20(14,15)16)3(6(10)17-2)7-19(11,12)13/h2-10H,1H2,(H,11,12,13)(H,14,15,16)/t2-,3-,4-,5-,6+/m1/s1 |
| InChIKey | InChI | 1.03 | AJBMJMMLWNUEAC-UKFBFLRUSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC[C@H]1O[C@H](O)[C@H](N[S](O)(=O)=O)[C@@H](O[S](O)(=O)=O)[C@@H]1O |
| SMILES | CACTVS | 3.370 | OC[CH]1O[CH](O)[CH](N[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)OS(=O)(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | C(C1C(C(C(C(O1)O)NS(=O)(=O)O)OS(=O)(=O)O)O)O |
