Molecule ID: mol37180

SMILES: O=P(O)(O)OC1[C@H](OP(=O)(O)O)CNC[C@H]1OP(=O)(O)O

InChI: InChI=1S/C5H14NO12P3/c7-19(8,9)16-3-1-6-2-4(17-20(10,11)12)5(3)18-21(13,14)15/h3-6H,1-2H2,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)/t3-,4-/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.14 QSARToolbox -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization