Molecule ID: mol19143

SMILES: CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C6COC6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O

InChI: InChI=1S/C39H65NO7/c1-9-44-33(35(5,6)42)25-18-23(2)30-31(46-25)32(41)37(8)27-11-10-26-34(3,4)28(47-29-19-40(16-17-45-29)24-20-43-21-24)12-13-38(26)22-39(27,38)15-14-36(30,37)7/h23-33,41-42H,9-22H2,1-8H3/t23-,25-,26+,27+,28+,29+,30+,31+,32+,33+,36-,37-,38-,39+/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.10 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization