Molecule ID: 129626768

IUPAC Name: [(2R)-3-octadecanoyloxy-2-octanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Description: The molecule is a phosphatidylcholine 26:0 in which the acyl groups at positions 1 and 2 are specified as octadecanoyl and octanoyl respectively. It derives from an octanoic acid and an octadecanoic acid.

SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC

SELFIES: [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C@H1][Branch2][Ring1][Branch1][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C][N+1][Branch1][C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C]

InChI: InChI=1S/C34H68NO8P/c1-6-8-10-12-13-14-15-16-17-18-19-20-21-23-24-26-33(36)40-30-32(43-34(37)27-25-22-11-9-7-2)31-42-44(38,39)41-29-28-35(3,4)5/h32H,6-31H2,1-5H3/t32-/m1/s1

Molecular Properties:
- Polar Surface Area: 111.0 Ų
- LogP: 10.2