MSX
Summary
| Name: | methyl 1,6-dithio-alpha-D-mannopyranoside |
| Synonyms: | 1,6-DIDEOXY-DITHIO-METHYL-ALPHA-D-MANNOSE methyl 1,6-dithio-alpha-D-mannoside; methyl 1,6-dithio-D-mannoside; methyl 1,6-dithio-mannoside |
| Formula: | C7 H14 O4 S2 |
| Formal charge: | 0 |
| Formula weight: | 226.314 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl 1,6-dithio-alpha-D-mannopyranoside |
| OpenEye OEToolkits | 1.7.6 | (2R,3S,4S,5S,6S)-2-methylsulfanyl-6-(sulfanylmethyl)oxane-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1C(O)C(O)C(OC1SC)CS |
| InChI | InChI | 1.03 | InChI=1S/C7H14O4S2/c1-13-7-6(10)5(9)4(8)3(2-12)11-7/h3-10,12H,2H2,1H3/t3-,4-,5+,6+,7-/m1/s1 |
| InChIKey | InChI | 1.03 | VSIIBZKFQKUEEH-ULQPCXBYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CS[C@H]1O[C@H](CS)[C@@H](O)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | CS[CH]1O[CH](CS)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CS[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CS)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CSC1C(C(C(C(O1)CS)O)O)O |
