Summary
| Name: | 6-thio-alpha-D-mannopyranose |
| Formula: | C6 H12 O5 S |
| Formal charge: | 0 |
| Formula weight: | 196.221 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-thio-alpha-D-mannopyranose |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{S},4~{S},5~{S},6~{S})-6-(sulfanylmethyl)oxane-2,3,4,5-tetrol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(OC(C(C(C1O)O)O)CS)O |
| InChI | InChI | 1.03 | InChI=1S/C6H12O5S/c7-3-2(1-12)11-6(10)5(9)4(3)8/h2-10,12H,1H2/t2-,3-,4+,5+,6+/m1/s1 |
| InChIKey | InChI | 1.03 | OMLRWUJGVBOYQP-PQMKYFCFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1O[C@H](CS)[C@@H](O)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | O[CH]1O[CH](CS)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)S |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C1C(C(C(C(O1)O)O)O)O)S |
