Molecule ID: mol10243

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

InChI: InChI=1S/C7H11NO7/c9-3-4(7(14)15)8(1-5(10)11)2-6(12)13/h4,9H,1-3H2,(H,10,11)(H,12,13)(H,14,15)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.20 IUPAC digitized pKa 0 » -1
2.62 IUPAC digitized pKa 0 » -1
9.20 IUPAC digitized pKa -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization