Molecule ID: mol36933
SMILES: O=C(/C=C/c1ccc(O)cc1)c1ccc(O[C@@H]2OC[C@](O)(CO)[C@H]2O)cc1O
InChI: InChI=1S/C20H20O8/c21-10-20(26)11-27-19(18(20)25)28-14-6-7-15(17(24)9-14)16(23)8-3-12-1-4-13(22)5-2-12/h1-9,18-19,21-22,24-26H,10-11H2/b8-3+/t18-,19-,20+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.49 | QSARToolbox | -1 » -2 |