Molecule ID: mol20569

SMILES: Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CC(=O)c2ccccc2O)[C@@H](O)[C@H]1O

InChI: InChI=1S/C18H20N5O8P/c19-16-13-17(21-7-20-16)23(8-22-13)18-15(27)14(26)12(31-18)5-30-32(28,29)6-11(25)9-3-1-2-4-10(9)24/h1-4,7-8,12,14-15,18,24,26-27H,5-6H2,(H,28,29)(H2,19,20,21)/t12-,14-,15-,18-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.00 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization