Molecule ID: 44558864

IUPAC Name: nan

Description: The molecule is an aminoxyl (nitroxide) free radical dipalmitoyl glycerophosphoethanolamine derivative used as a hapten in immunological investigations. It is a member of aminoxyls and a glycerophospholipid.

SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN=C(O)COCC([O-])=NCCNc1cc(NC2CC(C)(C)N([O])C(C)(C)C2)c([N+](=O)[O-])cc1[N+](=O)[O-])OC(=O)CCCCCCCCCCCCCCC

SELFIES: [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][Branch2][=Branch1][=N][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C][N][=C][Branch1][C][O][C][O][C][C][Branch1][C][O-1][=N][C][C][N][C][=C][C][Branch2][Ring1][=Branch2][N][C][C][C][Branch1][C][C][Branch1][C][C][N][Branch1][C][OH0][C][Branch1][C][C][Branch1][C][C][C][Ring1][O][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring2][Ring1][Branch1][N+1][=Branch1][C][=O][O-1][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C]

InChI: InChI=1S/C58H103N7O16P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-55(68)78-43-48(81-56(69)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)44-80-82(75,76)79-38-37-61-54(67)46-77-45-53(66)60-36-35-59-49-39-50(52(64(72)73)40-51(49)63(70)71)62-47-41-57(3,4)65(74)58(5,6)42-47/h39-40,47-48,59,62H,7-38,41-46H2,1-6H3,(H,60,66)(H,61,67)(H,75,76)/p-1

Molecular Properties:
- Polar Surface Area: 299.0 Ų
- LogP: 15.7