Molecule ID: mol9599
SMILES: O=C[C@H](O)[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/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.80 | IUPAC digitized pKa | -1 » -2 |
| 12.07 | QSARToolbox | -1 » -2 |
| 12.18 | QSARToolbox | -1 » -2 |
| 12.20 | QSARToolbox | -1 » -2 |
| 12.28 | IUPAC digitized pKa | -1 » -2 |
| 12.30 | AttenGpKa training set | -1 » -2 |
| 12.34 | IUPAC digitized pKa | -1 » -2 |
| 12.34 | QSARToolbox | -1 » -2 |
| 12.38 | IUPAC digitized pKa | -1 » -2 |
| 12.43 | QSARToolbox | -1 » -2 |
| 12.46 | IUPAC digitized pKa | -1 » -2 |
| 12.72 | IUPAC digitized pKa | -1 » -2 |
| 13.30 | QSARToolbox | -1 » -2 |