Molecule ID: mol12269

SMILES: O=C(O)CN(CCCCCCCCCCCCN(CC(=O)O)CC(=O)O)CC(=O)O

InChI: InChI=1S/C20H36N2O8/c23-17(24)13-21(14-18(25)26)11-9-7-5-3-1-2-4-6-8-10-12-22(15-19(27)28)16-20(29)30/h1-16H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.50 IUPAC digitized pKa -1 » -2
2.50 IUPAC digitized pKa -1 » -2
2.60 IUPAC digitized pKa -1 » -2
2.60 IUPAC digitized pKa -1 » -2
9.95 IUPAC digitized pKa -2 » -3
9.96 IUPAC digitized pKa -2 » -3
10.55 IUPAC digitized pKa -2 » -3
10.62 IUPAC digitized pKa -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization