LVZ
Summary
| Name: | propan-2-yl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside |
| Synonyms: | propan-2-yl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucoside propan-2-yl 2-deoxy-6-O-sulfo-2-(sulfoamino)-D-glucoside; propan-2-yl 2-deoxy-6-O-sulfo-2-(sulfoamino)-glucoside |
| Formula: | C9 H19 N O11 S2 |
| Formal charge: | 0 |
| Formula weight: | 381.377 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | propan-2-yl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside |
| OpenEye OEToolkits | 1.7.6 | [(2S,3R,4R,5S,6R)-4,5-bis(oxidanyl)-2-propan-2-yloxy-6-(sulfooxymethyl)oxan-3-yl]sulfamic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(O)OCC1OC(OC(C)C)C(NS(=O)(=O)O)C(O)C1O |
| InChI | InChI | 1.03 | InChI=1S/C9H19NO11S2/c1-4(2)20-9-6(10-22(13,14)15)8(12)7(11)5(21-9)3-19-23(16,17)18/h4-12H,3H2,1-2H3,(H,13,14,15)(H,16,17,18)/t5-,6-,7-,8-,9+/m1/s1 |
| InChIKey | InChI | 1.03 | OLCFKZNXXBRVTA-OKNNCHMLSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)O[C@H]1O[C@H](CO[S](O)(=O)=O)[C@@H](O)[C@H](O)[C@H]1N[S](O)(=O)=O |
| SMILES | CACTVS | 3.370 | CC(C)O[CH]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O)[CH]1N[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O)O)NS(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)OC1C(C(C(C(O1)COS(=O)(=O)O)O)O)NS(=O)(=O)O |
