Molecule ID: mol35021

SMILES: CC(C)(C)NCCC(O)(P(=O)(O)O)P(=O)(O)O

InChI: InChI=1S/C7H19NO7P2/c1-6(2,3)8-5-4-7(9,16(10,11)12)17(13,14)15/h8-9H,4-5H2,1-3H3,(H2,10,11,12)(H2,13,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization