Molecule ID: mol20475
SMILES: Nc1c2ncn3c2nc[n+]1[C@@H]1C[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H]3[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O
InChI: InChI=1S/C16H23N5O12P2/c17-14-9-15-19-5-20(14)7-1-6(10(22)11(7)23)2-30-34(26,27)33-35(28,29)31-3-8-12(24)13(25)16(32-8)21(15)4-18-9/h4-8,10-13,16-17,22-25H,1-3H2,(H2,26,27,28,29)/t6-,7-,8-,10-,11+,12-,13-,16-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.00 | Baltruschat ChEMBL | -1 » -2 |