Molecule ID: mol36049

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(CCCN(C)C)C(=O)CN)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1C

InChI: InChI=1S/C38H68N4O8/c1-11-33-26(4)19-24(2)13-14-31(43)25(3)20-29(15-18-42(34(45)23-39)17-12-16-40(7)8)37(28(6)32(44)22-35(46)49-33)50-38-36(47)30(41(9)10)21-27(5)48-38/h13-14,19,25-30,32-33,36-38,44,47H,11-12,15-18,20-23,39H2,1-10H3/b14-13+,24-19+/t25-,26+,27-,28+,29+,30+,32?,33-,36-,37-,38+/m1/s1

Experimental Macro pKa Values

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