Molecule ID: mol9597
SMILES: O=C(CO)[C@@H](O)[C@H](O)[C@H](O)CO
InChI: InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.68 | QSARToolbox | 0 » -1 |
| 11.68 | QSARToolbox | 0 » -1 |
| 12.03 | IUPAC digitized pKa | 0 » -1 |
| 12.27 | IUPAC digitized pKa | 0 » -1 |
| 12.30 | AttenGpKa training set | 0 » -1 |
| 12.53 | IUPAC digitized pKa | 0 » -1 |
| 13.24 | QSARToolbox | -1 » -2 |