Molecule ID: mol22607

SMILES: CCC(C)OC(=O)[C@@H](O)[C@H](O)C(=O)O

InChI: InChI=1S/C8H14O6/c1-3-4(2)14-8(13)6(10)5(9)7(11)12/h4-6,9-10H,3H2,1-2H3,(H,11,12)/t4?,5-,6-/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.38 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization