Molecule ID: mol29907
SMILES: OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
InChI: InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 12.70 | QSARToolbox | -2 » -3 |
| 12.75 | QSARToolbox | -2 » -3 |
| 12.82 | AttenGpKa training set | -2 » -3 |
| 12.84 | QSARToolbox | -2 » -3 |
| 13.72 | QSARToolbox | -4 » -5 |
| 13.77 | QSARToolbox | -4 » -5 |