SG7
Summary
| Name: | 3,4-di-O-acetyl-6-O-sulfamoyl-alpha-D-mannopyranose |
| Synonyms: | 3,4-di-O-acetyl-6-O-sulfamoyl-alpha-D-mannose 3,4-di-O-acetyl-6-O-sulfamoyl-D-mannose; 3,4-di-O-acetyl-6-O-sulfamoyl-mannose |
| Formula: | C10 H17 N O10 S |
| Formal charge: | 0 |
| Formula weight: | 343.308 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3,4-di-O-acetyl-6-O-sulfamoyl-alpha-D-mannopyranose |
| OpenEye OEToolkits | 1.7.2 | [(2R,3R,4R,5S,6S)-4-acetyloxy-5,6-bis(oxidanyl)-2-(sulfamoyloxymethyl)oxan-3-yl] ethanoate |
| GMML | 1.0 | DManp[3Ac,4Ac]a |
| GMML | 1.0 | 3-acetyl-4-acetyl-a-D-mannopyranose |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(OCC1OC(O)C(O)C(OC(=O)C)C1OC(=O)C)N |
| InChI | InChI | 1.03 | InChI=1S/C10H17NO10S/c1-4(12)19-8-6(3-18-22(11,16)17)21-10(15)7(14)9(8)20-5(2)13/h6-10,14-15H,3H2,1-2H3,(H2,11,16,17)/t6-,7+,8-,9-,10+/m1/s1 |
| InChIKey | InChI | 1.03 | XQYNJXXCRGRITM-ZOZBQHSOSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(=O)O[C@@H]1[C@H](O)[C@@H](O)O[C@H](CO[S](N)(=O)=O)[C@H]1OC(C)=O |
| SMILES | CACTVS | 3.370 | CC(=O)O[CH]1[CH](O)[CH](O)O[CH](CO[S](N)(=O)=O)[CH]1OC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CC(=O)O[C@@H]1[C@H](O[C@@H]([C@H]([C@H]1OC(=O)C)O)O)COS(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.2 | CC(=O)OC1C(OC(C(C1OC(=O)C)O)O)COS(=O)(=O)N |
