62I
Summary
| Name: | (6R)-1-O-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-L-glucitol |
| Formula: | C13 H24 N2 O11 S2 |
| Formal charge: | 0 |
| Formula weight: | 448.466 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (6R)-1-O-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-L-glucitol |
| OpenEye OEToolkits | 1.9.2 | [(2R,3R,4R,5R,6R)-3,4,5-tris(oxidanyl)-6-(4-sulfamoyloxypiperidin-1-yl)sulfonyl-oxan-2-yl]methyl ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(C(O)C(O)C(C(COC(=O)C)O1)O)S(=O)(=O)N2CCC(CC2)OS(=O)(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C13H24N2O11S2/c1-7(16)24-6-9-10(17)11(18)12(19)13(25-9)27(20,21)15-4-2-8(3-5-15)26-28(14,22)23/h8-13,17-19H,2-6H2,1H3,(H2,14,22,23)/t9-,10+,11-,12-,13-/m1/s1 |
| InChIKey | InChI | 1.03 | BGGOUURSAFNPGN-NZEXEKPDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)OC[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)[S](=O)(=O)N2CC[C@@H](CC2)O[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)[S](=O)(=O)N2CC[CH](CC2)O[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(=O)OC[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)S(=O)(=O)N2CCC(CC2)OS(=O)(=O)N)O)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(=O)OCC1C(C(C(C(O1)S(=O)(=O)N2CCC(CC2)OS(=O)(=O)N)O)O)O |
