Molecule ID: mol14416
SMILES: CC[C@@H]1OC(=O)[C@@H](C)[C@H](O)[C@@H](C)[C@H](O[C@H]2O[C@@H](C)C[C@@H]([N+](C)(C)O)[C@@H]2O)[C@]2(C)C[C@H](C)C3(O[C@]1(C)C=C3C)O2
InChI: InChI=1S/C29H50NO9/c1-11-21-27(7)13-15(2)29(38-27)16(3)14-28(8,39-29)24(18(5)22(31)19(6)25(33)36-21)37-26-23(32)20(30(9,10)34)12-17(4)35-26/h13,16-24,26,31-32,34H,11-12,14H2,1-10H3/q+1/t16-,17-,18+,19-,20+,21-,22+,23-,24-,26+,27+,28-,29?/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.30 | Datawarrior | 1 » 0 |