5L3
Summary
| Name: | (6R)-5-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)-5-O-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-L-glucitol |
| OpenEye OEToolkits | 1.9.2 | [(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-2-(4-sulfamoyloxypiperidin-1-yl)sulfonyl-oxan-3-yl] ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(C(OC(C)=O)C(O)C(C(CO)O1)O)S(=O)(=O)N2CCC(CC2)OS(=O)(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C13H24N2O11S2/c1-7(17)24-12-11(19)10(18)9(6-16)25-13(12)27(20,21)15-4-2-8(3-5-15)26-28(14,22)23/h8-13,16,18-19H,2-6H2,1H3,(H2,14,22,23)/t9-,10+,11-,12-,13-/m1/s1 |
| InChIKey | InChI | 1.03 | YXPKUHUEEVWRKJ-NZEXEKPDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)O[C@@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1[S](=O)(=O)N2CC[C@@H](CC2)O[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)O[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1[S](=O)(=O)N2CC[CH](CC2)O[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(=O)O[C@@H]1[C@@H]([C@H]([C@H](O[C@@H]1S(=O)(=O)N2CCC(CC2)OS(=O)(=O)N)CO)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(=O)OC1C(C(C(OC1S(=O)(=O)N2CCC(CC2)OS(=O)(=O)N)CO)O)O |
