Molecule ID: mol12532
SMILES: O=C1O[C@@H]([C@@H](O)CO)C(O)=C1O
InChI: InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.16 | Datawarrior | 0 » -1 |
| 4.26 | AttenGpKa training set | 0 » -1 |
| 4.50 | QSARToolbox | 0 » -1 |
| 11.33 | Datawarrior | -2 » -3 |
| 11.64 | AttenGpKa training set | -2 » -3 |