Molecule ID: mol29029
SMILES: O=C[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O)[C@H](O)CO
InChI: InChI=1S/C6H13O9P/c7-1-3(9)5(11)6(4(10)2-8)15-16(12,13)14/h1,3-6,8-11H,2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.84 | AttenGpKa training set | 0 » -1 |
| 5.67 | AttenGpKa training set | -1 » -2 |