Molecule ID: mol36047

SMILES: CC[C@H]1OC(=O)CC(O)[C@H](C)C(O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)CCN(C)C(=O)CN)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1C

InChI: InChI=1S/C37H66N4O8/c1-11-32-25(4)18-23(2)12-13-30(42)24(3)19-28(14-15-40(9)16-17-41(10)33(44)22-38)36(27(6)31(43)21-34(45)48-32)49-37-35(46)29(39(7)8)20-26(5)47-37/h12-13,18,24-29,31-32,35-37,43,46H,11,14-17,19-22,38H2,1-10H3/b13-12+,23-18+/t24-,25+,26-,27+,28+,29+,31?,32-,35-,36?,37+/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.31 QSARToolbox 3 » 2
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Charge States and Microspecies Visualization