Molecule ID: 121596233

IUPAC Name: 2-azaniumylethyl [(2R)-2-hydroxy-3-octadec-1-enoxypropyl] phosphate

Description: The molecule is 1-(alk-1-enyl)-sn-glycero-3-phosphoethanolamine zwitterion in which the alk-1-enyl group is specified as octadec-1-enyl. It is a tautomer of a 1-(octadec-1-enyl)-sn-glycero-3-phosphoethanolamine.

SMILES: CCCCCCCCCCCCCCCCC=COC[C@@H](O)COP(=O)(O)OCCN

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

InChI: InChI=1S/C23H48NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-21-23(25)22-30-31(26,27)29-20-18-24/h17,19,23,25H,2-16,18,20-22,24H2,1H3,(H,26,27)/t23-/m1/s1

Molecular Properties:
- Polar Surface Area: 116.0 Ų
- LogP: 6.2