Molecule ID: mol38550

SMILES: O=C1NCC=CN1C1OC(COP(=O)(O)O)C(O)C1O

InChI: InChI=1S/C9H15N2O8P/c12-6-5(4-18-20(15,16)17)19-8(7(6)13)11-3-1-2-10-9(11)14/h1,3,5-8,12-13H,2,4H2,(H,10,14)(H2,15,16,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization