Molecule ID: mol9826
SMILES: O=C(CO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O
InChI: InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h4-7,9-11H,1-2H2,(H2,12,13,14)/t4-,5-,6-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.97 | AttenGpKa training set | 0 » -1 |
| 0.97 | QSARToolbox | 0 » -1 |
| 5.84 | IUPAC digitized pKa | -1 » -2 |
| 6.11 | AttenGpKa training set | -1 » -2 |