Molecule ID: mol16658
SMILES: O=C(O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
InChI: InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.20 | Baltruschat ChEMBL | 0 » -1 |
| 3.23 | AttenGpKa training set | 0 » -1 |