Molecule ID: mol22537

SMILES: O=C(O)C[C@@H]1O[C@@H]1C(=O)O

InChI: InChI=1S/C5H6O5/c6-3(7)1-2-4(10-2)5(8)9/h2,4H,1H2,(H,6,7)(H,8,9)/t2-,4-/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.20 AttenGpKa training set -1 » -2
5.29 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization