GNS
Summary
| Name: | 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose |
| Synonyms: | N-SULFO-ALPHA-D-GLUCOSAMINE 2-deoxy-2-(sulfoamino)-alpha-D-glucose; 2-deoxy-2-(sulfoamino)-D-glucose; 2-deoxy-2-(sulfoamino)-glucose |
| Formula: | C6 H13 N O8 S |
| Formal charge: | 0 |
| Formula weight: | 259.234 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose |
| OpenEye OEToolkits | 1.7.2 | [(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]sulfamic acid |
| GMML | 1.0 | DGlcpNSa |
| GMML | 1.0 | N-sulfo-a-D-glucopyranose |
| PDB-CARE | 1.0 | a-D-GlcpNSO3 |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(O)NC1C(O)C(O)C(OC1O)CO |
| InChI | InChI | 1.03 | InChI=1S/C6H13NO8S/c8-1-2-4(9)5(10)3(6(11)15-2)7-16(12,13)14/h2-11H,1H2,(H,12,13,14)/t2-,3-,4-,5-,6+/m1/s1 |
| InChIKey | InChI | 1.03 | PRDZVHCOEWJPOB-UKFBFLRUSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC[C@H]1O[C@H](O)[C@H](N[S](O)(=O)=O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.370 | OC[CH]1O[CH](O)[CH](N[S](O)(=O)=O)[CH](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)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | C(C1C(C(C(C(O1)O)NS(=O)(=O)O)O)O)O |
