Molecule ID: mol12135

SMILES: O=P(O)(O)C(NCCNC(c1ccccc1O)P(=O)(O)O)c1ccccc1O

InChI: InChI=1S/C16H22N2O8P2/c19-13-7-3-1-5-11(13)15(27(21,22)23)17-9-10-18-16(28(24,25)26)12-6-2-4-8-14(12)20/h1-8,15-20H,9-10H2,(H2,21,22,23)(H2,24,25,26)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.16 IUPAC digitized pKa 0 » -1
6.57 IUPAC digitized pKa -1 » -2
7.38 IUPAC digitized pKa -2 » -3
9.61 IUPAC digitized pKa -4 » -5
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization