Molecule ID: mol36048

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

InChI: InChI=1S/C34H60N2O8/c1-10-30-23(4)17-21(2)11-12-28(38)22(3)18-26(13-14-36(9)15-16-37)33(25(6)29(39)20-31(40)43-30)44-34-32(41)27(35(7)8)19-24(5)42-34/h11-12,17,22-27,29-30,32-34,37,39,41H,10,13-16,18-20H2,1-9H3/b12-11+,21-17+/t22-,23+,24-,25+,26+,27+,29?,30-,32-,33-,34+/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.56 QSARToolbox 2 » 1
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Charge States and Microspecies Visualization