Molecule ID: mol30167

SMILES: NC1=NC=NC2C1N=CN2[C@H]1O[C@@H](COP(=O)(O)O[C@@H]2[C@H](O)[C@@H](n3ccc(N)nc3=O)O[C@H]2CO)[C@H](O)[C@@H]1O

InChI: InChI=1S/C19H27N8O11P/c20-9-1-2-26(19(32)25-9)18-13(31)14(7(3-28)36-18)38-39(33,34)35-4-8-11(29)12(30)17(37-8)27-6-24-10-15(21)22-5-23-16(10)27/h1-2,5-8,10-14,16-18,28-31H,3-4H2,(H,33,34)(H2,20,25,32)(H2,21,22,23)/t7-,8-,10?,11-,12-,13-,14-,16?,17-,18-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
12.88 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization