MA1
Summary
| Name: | 1,4-dithio-alpha-D-glucopyranose |
| Synonyms: | 1,4-dithio-alpha-D-glucose 1,4-dithio-D-glucose; 1,4-dithio-glucose |
| Formula: | C6 H12 O4 S2 |
| Formal charge: | 0 |
| Formula weight: | 212.287 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1,4-dithio-alpha-D-glucopyranose |
| OpenEye OEToolkits | 1.5.0 | (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,5-bis-sulfanyl-oxane-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC1C(S)C(OC(S)C1O)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@H](S)[C@H](O)[C@@H](O)[C@@H]1S |
| SMILES | CACTVS | 3.341 | OC[CH]1O[CH](S)[CH](O)[CH](O)[CH]1S |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)S)O)O)S)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C1C(C(C(C(O1)S)O)O)S)O |
| InChI | InChI | 1.03 | InChI=1S/C6H12O4S2/c7-1-2-5(11)3(8)4(9)6(12)10-2/h2-9,11-12H,1H2/t2-,3-,4-,5-,6-/m1/s1 |
| InChIKey | InChI | 1.03 | MUOMBPNNVXJUGT-QZABAPFNSA-N |
