Molecule ID: mol9919

SMILES: O=C(O)CCN(CC(=O)O)CP(=O)(O)O

InChI: InChI=1S/C6H12NO7P/c8-5(9)1-2-7(3-6(10)11)4-15(12,13)14/h1-4H2,(H,8,9)(H,10,11)(H2,12,13,14)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.72 IUPAC digitized pKa -1 » -2
3.48 IUPAC digitized pKa 0 » -1
5.59 IUPAC digitized pKa -2 » -3
10.41 IUPAC digitized pKa -3 » -4
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization