Molecule ID: mol9081
SMILES: O=P(O)(O)OCC(O)CO
InChI: InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.40 | AttenGpKa training set | 0 » -1 |
| 6.07 | IUPAC digitized pKa | -1 » -2 |
| 6.23 | QSARToolbox | -1 » -2 |
| 6.39 | AttenGpKa training set | -1 » -2 |
| 6.64 | IUPAC digitized pKa | -1 » -2 |
| 6.64 | IUPAC digitized pKa | -1 » -2 |
| 6.64 | IUPAC digitized pKa | -1 » -2 |
| 6.65 | IUPAC digitized pKa | -1 » -2 |
| 6.66 | IUPAC digitized pKa | -1 » -2 |
| 6.67 | IUPAC digitized pKa | -1 » -2 |
| 6.68 | IUPAC digitized pKa | -1 » -2 |
| 6.69 | IUPAC digitized pKa | -1 » -2 |
| 6.69 | IUPAC digitized pKa | -1 » -2 |
| 6.71 | IUPAC digitized pKa | -1 » -2 |
| 6.73 | QSARToolbox | -1 » -2 |
| 6.73 | IUPAC digitized pKa | -1 » -2 |