SG5
Summary
| Name: | 2,3,4-tri-O-propanoyl-6-O-sulfamoyl-alpha-D-glucopyranose |
| Synonyms: | 2,3,4-tri-O-propanoyl-6-O-sulfamoyl-alpha-D-glucose 2,3,4-tri-O-propanoyl-6-O-sulfamoyl-D-glucose; 2,3,4-tri-O-propanoyl-6-O-sulfamoyl-glucose |
| Formula: | C15 H25 N O11 S |
| Formal charge: | 0 |
| Formula weight: | 427.424 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,3,4-tri-O-propanoyl-6-O-sulfamoyl-alpha-D-glucopyranose |
| OpenEye OEToolkits | 1.7.2 | [(2R,3R,4S,5R,6S)-6-oxidanyl-4,5-di(propanoyloxy)-2-(sulfamoyloxymethyl)oxan-3-yl] propanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(OCC1OC(O)C(OC(=O)CC)C(OC(=O)CC)C1OC(=O)CC)N |
| InChI | InChI | 1.03 | InChI=1S/C15H25NO11S/c1-4-9(17)25-12-8(7-23-28(16,21)22)24-15(20)14(27-11(19)6-3)13(12)26-10(18)5-2/h8,12-15,20H,4-7H2,1-3H3,(H2,16,21,22)/t8-,12-,13+,14-,15+/m1/s1 |
| InChIKey | InChI | 1.03 | TUQHVAPJYYJQSN-WMNSZERYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCC(=O)O[C@H]1[C@@H](O)O[C@H](CO[S](N)(=O)=O)[C@@H](OC(=O)CC)[C@@H]1OC(=O)CC |
| SMILES | CACTVS | 3.370 | CCC(=O)O[CH]1[CH](O)O[CH](CO[S](N)(=O)=O)[CH](OC(=O)CC)[CH]1OC(=O)CC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CCC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)CC)OC(=O)CC)O)COS(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.2 | CCC(=O)OC1C(OC(C(C1OC(=O)CC)OC(=O)CC)O)COS(=O)(=O)N |
