Molecule ID: mol20474
SMILES: Nc1c2ncn3c2nc[n+]1[C@@H]1S[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/C15H21N5O12P2S/c16-12-7-13-18-4-19(12)15-11(24)9(22)6(35-15)2-30-34(27,28)32-33(25,26)29-1-5-8(21)10(23)14(31-5)20(13)3-17-7/h3-6,8-11,14-16,21-24H,1-2H2,(H2,25,26,27,28)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | Baltruschat ChEMBL | -1 » -2 |