Molecule ID: mol31313

SMILES: CC1(C)OCC(C2OC(=O)C(O)=C2OP(=O)(N2CCOCC2)N2CCOCC2)O1

InChI: InChI=1S/C17H27N2O9P/c1-17(2)25-11-12(27-17)14-15(13(20)16(21)26-14)28-29(22,18-3-7-23-8-4-18)19-5-9-24-10-6-19/h12,14,20H,3-11H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.22 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization