Molecule ID: mol3062
SMILES: O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChI: InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.40 | QSARToolbox | 0 » -1 |
| 3.47 | QSARToolbox | 0 » -1 |
| 3.62 | OCHEM | 0 » -1 |
| 3.62 | OCHEM | 0 » -1 |
| 3.62 | OCHEM | 0 » -1 |
| 3.62 | AvLiLuMoVe | 0 » -1 |
| 3.70 | QSARToolbox | 0 » -1 |
| 3.75 | AttenGpKa training set | 0 » -1 |
| 3.76 | QSARToolbox | 0 » -1 |
| 3.76 | IUPAC digitized pKa | 0 » -1 |
| 3.86 | QSARToolbox | 0 » -1 |