Obsolete: YDR
Summary
| Name: | 6-S-alpha-D-mannopyranosyl-6-thio-alpha-D-mannopyranose |
| Formula: | C12 H22 O10 S |
| Formal charge: | 0 |
| Formula weight: | 358.362 Da |
| Component type: | saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-S-alpha-D-mannopyranosyl-6-thio-alpha-D-mannopyranose |
| OpenEye OEToolkits | 1.7.0 | (2S,3S,4S,5S,6S)-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylmethyl]oxane-2,3,4,5-tetrol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | S(CC1OC(O)C(O)C(O)C1O)C2OC(C(O)C(O)C2O)CO |
| SMILES_CANONICAL | CACTVS | 3.370 | OC[C@H]1O[C@H](SC[C@H]2O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.370 | OC[CH]1O[CH](SC[CH]2O[CH](O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)SC[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)O)O)O)O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C(C1C(C(C(C(O1)SCC2C(C(C(C(O2)O)O)O)O)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H22O10S/c13-1-3-5(14)8(17)10(19)12(22-3)23-2-4-6(15)7(16)9(18)11(20)21-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9+,10+,11+,12-/m1/s1 |
| InChIKey | InChI | 1.03 | KLUQTOWGMHJQAC-LBGGPIGOSA-N |
