Molecule ID: mol9064
SMILES: O=C(O)C(CO)OP(=O)(O)O
InChI: InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.42 | AttenGpKa training set | 0 » -1 |
| 3.55 | IUPAC digitized pKa | -1 » -2 |
| 3.55 | AttenGpKa training set | -1 » -2 |
| 3.60 | IUPAC digitized pKa | -1 » -2 |
| 7.00 | IUPAC digitized pKa | -2 » -3 |
| 7.05 | AttenGpKa training set | -2 » -3 |
| 7.10 | IUPAC digitized pKa | -2 » -3 |