GTM
Summary
| Name: | methyl 4-thio-beta-D-glucopyranoside |
| Synonyms: | O1-METHYL-4-DEOXY-4-THIO-BETA-D-GLUCOSE methyl 4-thio-beta-D-glucoside; methyl 4-thio-D-glucoside; methyl 4-thio-glucoside |
| Formula: | C7 H14 O5 S |
| Formal charge: | 0 |
| Formula weight: | 210.248 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | methyl 4-thio-beta-D-glucopyranoside |
| OpenEye OEToolkits | 1.5.0 | (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-methoxy-5-sulfanyl-oxane-3,4-diol |
| PDB-CARE | 1.0 | o1-methyl-4-deoxy-4-thio-b-D-glucose |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC1C(O)C(S)C(OC1OC)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | CO[C@@H]1O[C@H](CO)[C@@H](S)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.341 | CO[CH]1O[CH](CO)[CH](S)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)S)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | COC1C(C(C(C(O1)CO)S)O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H14O5S/c1-11-7-5(10)4(9)6(13)3(2-8)12-7/h3-10,13H,2H2,1H3/t3-,4-,5-,6-,7-/m1/s1 |
| InChIKey | InChI | 1.03 | PFROTWRHYMLGHR-NYMZXIIRSA-N |
