Molecule ID: mol9338
SMILES: O=C[C@H](O)[C@H](O)[C@H](O)CO
InChI: InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.80 | AttenGpKa training set | 0 » -1 |
| 12.11 | IUPAC digitized pKa | -1 » -2 |
| 12.22 | IUPAC digitized pKa | -1 » -2 |
| 12.54 | IUPAC digitized pKa | -1 » -2 |