Molecule ID: 13917464

IUPAC Name: [(2R)-3-hexanoyloxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Description: The molecule is a 1-O-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as caproyl (hexanoyl). It is a 1-O-acyl-sn-glycero-3-phosphocholine, a hexanoate ester and a lysophosphatidylcholine 6:0.

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

SELFIES: [C][C][C][C][C][C][=Branch1][C][=O][O][C][C@@H1][Branch1][C][O][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/C14H30NO7P/c1-5-6-7-8-14(17)20-11-13(16)12-22-23(18,19)21-10-9-15(2,3)4/h13,16H,5-12H2,1-4H3/t13-/m1/s1

Molecular Properties:
- Polar Surface Area: 105.0 Ų
- LogP: 0.1