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 |