GS1
Summary
| Name: | 1-thio-beta-D-glucopyranose |
| Synonyms: | 1-thio-beta-D-glucose 1-thio-D-glucose; 1-thio-glucose |
| Formula: | C6 H12 O5 S |
| Formal charge: | 0 |
| Formula weight: | 196.221 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-thio-beta-D-glucopyranose |
| OpenEye OEToolkits | 1.5.0 | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol |
| PDB-CARE | 1.0 | b-D-Glcp1SH |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC1C(O)C(OC(S)C1O)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@@H](S)[C@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | OC[CH]1O[CH](S)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C1C(C(C(C(O1)S)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2-,3-,4+,5-,6+/m1/s1 |
| InChIKey | InChI | 1.03 | JUSMHIGDXPKSID-DVKNGEFBSA-N |
