SOG
Summary
| Name: | octyl 1-thio-beta-D-glucopyranoside |
| Synonyms: | 2-HYDROXYMETHYL-6-OCTYLSULFANYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL 1-S-OCTYL-BETA-D-THIOGLUCOSIDE; octyl 1-thio-beta-D-glucoside; octyl 1-thio-D-glucoside; octyl 1-thio-glucoside |
| Formula: | C14 H28 O5 S |
| Formal charge: | 0 |
| Formula weight: | 308.434 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | octyl 1-thio-beta-D-glucopyranoside |
| OpenEye OEToolkits | 1.5.0 | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-octylsulfanyl-oxane-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | S(CCCCCCCC)C1OC(C(O)C(O)C1O)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCCS[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.341 | CCCCCCCCS[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCSC1C(C(C(C(O1)CO)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H28O5S/c1-2-3-4-5-6-7-8-20-14-13(18)12(17)11(16)10(9-15)19-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14+/m1/s1 |
| InChIKey | InChI | 1.03 | CGVLVOOFCGWBCS-RGDJUOJXSA-N |
