Molecule ID: mol29036
SMILES: O=C(O)C(COP(=O)(O)O)OP(=O)(O)O
InChI: InChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.48 | AttenGpKa training set | 0 » -1 |
| 7.40 | AttenGpKa training set | -4 » -5 |