Molecule ID: mol36991

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

InChI: InChI=1S/C8H12O6/c9-5(10)7(13)3-1-2-4-8(7,14)6(11)12/h13-14H,1-4H2,(H,9,10)(H,11,12)/t7-,8-/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.91 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization