ZDO
Summary
| Name: | methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside |
| Formula: | C7 H15 N O11 S2 |
| Formal charge: | 0 |
| Formula weight: | 353.324 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside |
| OpenEye OEToolkits | 1.7.6 | [(2S,3R,4R,5S,6R)-2-methoxy-4,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-3-yl]sulfamic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(O)OCC1OC(OC)C(NS(=O)(=O)O)C(O)C1O |
| InChI | InChI | 1.03 | InChI=1S/C7H15NO11S2/c1-17-7-4(8-20(11,12)13)6(10)5(9)3(19-7)2-18-21(14,15)16/h3-10H,2H2,1H3,(H,11,12,13)(H,14,15,16)/t3-,4-,5-,6-,7+/m1/s1 |
| InChIKey | InChI | 1.03 | UWLKUQLVRABNAG-GKHCUFPYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CO[C@H]1O[C@H](CO[S](O)(=O)=O)[C@@H](O)[C@H](O)[C@H]1N[S](O)(=O)=O |
| SMILES | CACTVS | 3.370 | CO[CH]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O)[CH]1N[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O)O)NS(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | COC1C(C(C(C(O1)COS(=O)(=O)O)O)O)NS(=O)(=O)O |
