Molecule ID: mol18882

SMILES: CC(=O)/C=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1

InChI: InChI=1S/C18H22O8/c1-10(20)8-12(21)5-2-11-3-6-13(7-4-11)25-18-17(24)16(23)15(22)14(9-19)26-18/h2-8,14-19,21-24H,9H2,1H3/b5-2+,12-8-/t14-,15-,16+,17-,18-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.22 Baltruschat ChEMBL 0 » -1
9.26 Baltruschat ChEMBL 0 » -1
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Charge States and Microspecies Visualization