Molecule ID: 91666402

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

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

SMILES: CCCCCCCCCCCCCCCCCC([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][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/C23H48NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)24-18-19-30-32(28,29)31-21-22(26)20-25/h22,25-26H,2-21H2,1H3,(H,24,27)(H,28,29)/p-1/t22-/m1/s1

Molecular Properties:
- Polar Surface Area: 128.0 Ų
- LogP: 5.3