Molecule ID: 91666404

IUPAC Name: [(2R)-2,3-dihydroxypropyl] 2-(icosanoylamino)ethyl phosphate

Description: The molecule is an N-acyl-sn-glycero-3-phosphoethanolamine(1-) in which the N-acyl group is specified as icosanoyl; major species at pH 7.3. It is a conjugate base of a N-icosanoyl-sn-glycero-3-phosphoethanolamine.

SMILES: CCCCCCCCCCCCCCCCCCCC([O-])=NCCOP(=O)(O)OC[C@H](O)CO

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

InChI: InChI=1S/C25H52NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(29)26-20-21-32-34(30,31)33-23-24(28)22-27/h24,27-28H,2-23H2,1H3,(H,26,29)(H,30,31)/p-1/t24-/m1/s1

Molecular Properties:
- Polar Surface Area: 128.0 Ų
- LogP: 6.4