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

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.30 Datawarrior 1 » 0
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Charge States and Microspecies Visualization