Molecule ID: mol36184

SMILES: O=C(O)COCC(COCC(=O)O)(COCC(=O)O)COCC(=O)O

InChI: InChI=1S/C13H20O12/c14-9(15)1-22-5-13(6-23-2-10(16)17,7-24-3-11(18)19)8-25-4-12(20)21/h1-8H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization