Z4U
Summary
| Name: | methyl 4-thio-alpha-D-xylopyranoside |
| Formula: | C6 H12 O4 S |
| Formal charge: | 0 |
| Formula weight: | 180.222 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl 4-thio-alpha-D-xylopyranoside |
| OpenEye OEToolkits | 1.7.6 | (2S,3R,4R,5R)-2-methoxy-5-sulfanyl-oxane-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1C(O)C(S)COC1OC |
| InChI | InChI | 1.03 | InChI=1S/C6H12O4S/c1-9-6-5(8)4(7)3(11)2-10-6/h3-8,11H,2H2,1H3/t3-,4+,5-,6+/m1/s1 |
| InChIKey | InChI | 1.03 | YRXSBQDFUVBYAI-MOJAZDJTSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CO[C@H]1OC[C@@H](S)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.370 | CO[CH]1OC[CH](S)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CO[C@@H]1[C@@H]([C@H]([C@@H](CO1)S)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | COC1C(C(C(CO1)S)O)O |
