Molecule ID: mol14789
SMILES: C[C@H]1O[C@H](O[C@H]2CC[C@H]([n+]3ccc(N)nc3O)O[C@@H]2C)[C@H](O)[C@@H](O)[C@@H]1N(C)C
InChI: InChI=1S/C18H30N4O6/c1-9-11(5-6-13(26-9)22-8-7-12(19)20-18(22)25)28-17-16(24)15(23)14(21(3)4)10(2)27-17/h7-11,13-17,23-24H,5-6H2,1-4H3,(H2,19,20,25)/p+1/t9-,10-,11+,13-,14-,15+,16-,17-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.90 | Datawarrior | 2 » 1 |