Molecule ID: mol31243
SMILES: O=C1O[C@@H]([C@H](O)[C@H](O)[C@H](O)CO)C(O)=C1O
InChI: InChI=1S/C8H12O8/c9-1-2(10)3(11)4(12)7-5(13)6(14)8(15)16-7/h2-4,7,9-14H,1H2/t2-,3-,4-,7+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.30 | AttenGpKa training set | 0 » -1 |
| 12.00 | AttenGpKa training set | -3 » -4 |