Z3K
Summary
Name: | (1S)-2,3,6-tri-O-acetyl-1,5-anhydro-1-sulfamoyl-D-glucitol |
Formula: | C12 H19 N O10 S |
Formal charge: | 0 |
Formula weight: | 369.345 Da |
Component type: | D-saccharide |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (1S)-2,3,6-tri-O-acetyl-1,5-anhydro-1-sulfamoyl-D-glucitol |
OpenEye OEToolkits | 1.7.6 | [(2R,3R,4S,5R,6S)-4,5-diacetyloxy-3-oxidanyl-6-sulfamoyl-oxan-2-yl]methyl ethanoate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(N)C1OC(C(O)C(OC(=O)C)C1OC(=O)C)COC(=O)C |
InChI | InChI | 1.03 | InChI=1S/C12H19NO10S/c1-5(14)20-4-8-9(17)10(21-6(2)15)11(22-7(3)16)12(23-8)24(13,18)19/h8-12,17H,4H2,1-3H3,(H2,13,18,19)/t8-,9-,10+,11-,12+/m1/s1 |
InChIKey | InChI | 1.03 | BMAFGBMWLRBIND-ZIQFBCGOSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O)[S](N)(=O)=O |
SMILES | CACTVS | 3.370 | CC(=O)OC[CH]1O[CH]([CH](OC(C)=O)[CH](OC(C)=O)[CH]1O)[S](N)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S(=O)(=O)N)OC(=O)C)OC(=O)C)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)OCC1C(C(C(C(O1)S(=O)(=O)N)OC(=O)C)OC(=O)C)O |