TWY
Summary
| Name: | 4-thio-beta-D-xylopyranose |
| Formula: | C5 H10 O4 S |
| Formal charge: | 0 |
| Formula weight: | 166.195 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-thio-beta-D-xylopyranose |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R},4~{R},5~{R})-5-sulfanyloxane-2,3,4-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | SC1C(C(C(OC1)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H10O4S/c6-3-2(10)1-9-5(8)4(3)7/h2-8,10H,1H2/t2-,3+,4-,5-/m1/s1 |
| InChIKey | InChI | 1.03 | MFDZOCXKSSGEBR-KKQCNMDGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1OC[C@@H](S)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.385 | O[CH]1OC[CH](S)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(C(C(C(O1)O)O)O)S |
