Molecule ID: mol29039
SMILES: O=C(OP(=O)(O)O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChI: InChI=1S/C6H13O10P/c7-1-2(8)3(9)4(10)5(11)6(12)16-17(13,14)15/h2-5,7-11H,1H2,(H2,13,14,15)/t2-,3-,4+,5-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.10 | AttenGpKa training set | 0 » -1 |
| 6.31 | AttenGpKa training set | -1 » -2 |