Molecule ID: mol31376
SMILES: O=P(O)(O)OOP(=O)(O)O
InChI: InChI=1S/H4O8P2/c1-9(2,3)7-8-10(4,5)6/h(H2,1,2,3)(H2,4,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.20 | AttenGpKa training set | 0 » -1 |
| 0.52 | AttenGpKa training set | 0 » -1 |
| 5.18 | AttenGpKa training set | -3 » -4 |
| 7.67 | AttenGpKa training set | -2 » -3 |