Molecule ID: 91826530

IUPAC Name: [(2R)-2-tridecanoyloxy-3-undecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Description: The molecule is a phosphatidylcholine 24:0 in which the acyl groups specified at positions 1 and 2 are undecanoyl and tridecanoyl respectively. It derives from an undecanoic acid and a tridecanoic acid.

SMILES: CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

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

InChI: InChI=1S/C32H64NO8P/c1-6-8-10-12-14-16-17-19-21-23-25-32(35)41-30(29-40-42(36,37)39-27-26-33(3,4)5)28-38-31(34)24-22-20-18-15-13-11-9-7-2/h30H,6-29H2,1-5H3/t30-/m1/s1

Molecular Properties:
- Polar Surface Area: 111.0 Ų
- LogP: 9.1