Molecule ID: mol19144

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(CC)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O

InChI: InChI=1S/C38H65NO6/c1-10-39-18-19-43-28(21-39)45-27-14-15-37-22-38(37)17-16-35(8)29-23(3)20-24(32(42-11-2)34(6,7)41)44-30(29)31(40)36(35,9)26(38)13-12-25(37)33(27,4)5/h23-32,40-41H,10-22H2,1-9H3/t23-,24-,25+,26+,27+,28+,29+,30+,31+,32+,35-,36-,37-,38+/m1/s1

Experimental Macro pKa Values

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