4SG
Summary
| Name: | 4-thio-alpha-D-glucopyranose |
| Formula: | C6 H12 O5 S |
| Formal charge: | 0 |
| Formula weight: | 196.221 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-thio-alpha-D-glucopyranose |
| OpenEye OEToolkits | 1.7.6 | (2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-sulfanyl-oxane-2,3,4-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1C(S)C(OC(O)C1O)CO |
| InChI | InChI | 1.03 | InChI=1S/C6H12O5S/c7-1-2-5(12)3(8)4(9)6(10)11-2/h2-10,12H,1H2/t2-,3-,4-,5-,6+/m1/s1 |
| InChIKey | InChI | 1.03 | KGSURTOFVLAWDC-UKFBFLRUSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1S |
| SMILES | CACTVS | 3.370 | OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1S |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)S)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(C1C(C(C(C(O1)O)O)O)S)O |
