Molecule ID: mol37473

SMILES: O=C1O[C@@H]([C@H](O)[C@H](O)CO)C(=O)C1=O

InChI: InChI=1S/C7H8O7/c8-1-2(9)3(10)6-4(11)5(12)7(13)14-6/h2-3,6,8-10H,1H2/t2-,3-,6+/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization