Molecule ID: 86289568

IUPAC Name: [(2R)-2-acetyloxy-3-hexadecoxypropyl] phosphate

Description: The molecule is a 1-alkyl-2-acyl-sn-glycero-3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-palmityl-2-acetyl-sn-glycero-3-phosphate; major species at pH 7.3. It derives from a hexadecan-1-ol and an acetate. It is a conjugate base of a 1-palmityl-2-acetyl-sn-glycero-3-phosphate.

SMILES: CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])[O-])OC(C)=O

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

InChI: InChI=1S/C21H43O7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-18-21(28-20(2)22)19-27-29(23,24)25/h21H,3-19H2,1-2H3,(H2,23,24,25)/p-2/t21-/m1/s1

Molecular Properties:
- Polar Surface Area: 108.0 Ų
- LogP: 5.8