MA2
Summary
| Name: | 4-S-methyl-4-thio-alpha-D-glucopyranose |
| Synonyms: | 4-S-methyl-4-thio-alpha-D-glucose 4-S-methyl-4-thio-D-glucose; 4-S-methyl-4-thio-glucose |
| Formula: | C7 H14 O5 S |
| Formal charge: | 0 |
| Formula weight: | 210.248 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-S-methyl-4-thio-alpha-D-glucopyranose |
| OpenEye OEToolkits | 1.5.0 | (2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-methylsulfanyl-oxane-2,3,4-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC1C(SC)C(OC(O)C1O)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | CS[C@@H]1[C@@H](CO)O[C@H](O)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.341 | CS[CH]1[CH](CO)O[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CS[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O)CO |
| SMILES | OpenEye OEToolkits | 1.5.0 | CSC1C(OC(C(C1O)O)O)CO |
| InChI | InChI | 1.03 | InChI=1S/C7H14O5S/c1-13-6-3(2-8)12-7(11)5(10)4(6)9/h3-11H,2H2,1H3/t3-,4-,5-,6-,7+/m1/s1 |
| InChIKey | InChI | 1.03 | UYUQSQYXZFSOEM-GKHCUFPYSA-N |
