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

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.49 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization