Molecule ID: 91666400

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

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

SMILES: CCCCCCCCCCCCCCCC([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][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/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(25)22-16-17-28-30(26,27)29-19-20(24)18-23/h20,23-24H,2-19H2,1H3,(H,22,25)(H,26,27)/p-1/t20-/m1/s1

Molecular Properties:
- Polar Surface Area: 128.0 Ų
- LogP: 4.2