TWJ
Summary
| Name: | 1-thio-beta-D-talopyranose |
| 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 | 12.01 | 1-thio-beta-D-talopyranose |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R},4~{S},5~{S},6~{S})-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | SC1OC(CO)C(C(O)C1O)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-URLGYRAOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@@H](S)[C@@H](O)[C@@H](O)[C@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH](S)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C([C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)S)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C1C(C(C(C(O1)S)O)O)O)O |
