FK9
Summary
| Name: | 3-(propylsulfanyl)propyl alpha-D-mannopyranoside |
| Synonyms: | PROPYL THIOPROPYL ALPHA-D-MANNOPYRANOSIDE 3-(propylsulfanyl)propyl alpha-D-mannoside; 3-(propylsulfanyl)propyl D-mannoside; 3-(propylsulfanyl)propyl mannoside |
| Formula: | C12 H24 O6 S |
| Formal charge: | 0 |
| Formula weight: | 296.38 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(propylsulfanyl)propyl alpha-D-mannopyranoside |
| OpenEye OEToolkits | 1.9.2 | (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-(3-propylsulfanylpropoxy)oxane-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O(CCCSCCC)C1OC(C(O)C(O)C1O)CO |
| InChI | InChI | 1.03 | InChI=1S/C12H24O6S/c1-2-5-19-6-3-4-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3/t8-,9-,10+,11+,12+/m1/s1 |
| InChIKey | InChI | 1.03 | VPHBOBPNUZWASC-GCHJQGSQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCSCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | CCCSCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCSCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCSCCCOC1C(C(C(C(O1)CO)O)O)O |
