1.0 2020-04-03 06:28:04 UTC 2020-04-03 06:28:05 UTC FDB097619 PC(13:0/20:1(11Z)) C41H80NO8P 746.064 745.562155538 (2-{[(2R)-2-[(11Z)-icos-11-enoyloxy]-3-(tridecanoyloxy)propyl phosphono]oxy}ethyl)trimethylazanium (2-{[(2R)-2-[(11Z)-icos-11-enoyloxy]-3-(tridecanoyloxy)propyl phosphono]oxy}ethyl)trimethylazanium [H][C@@](COC(=O)CCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCC InChI=1S/C41H80NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42(3,4)5)37-47-40(43)33-31-29-27-25-17-15-13-11-9-7-2/h19-20,39H,6-18,21-38H2,1-5H3/b20-19-/t39-/m1/s1 HILNHYCWLDRSKJ-DPTAKULKSA-N belongs to the class of organic compounds known as phosphatidylcholines. These are glycerophosphocholines in which the two free -OH are attached to one fatty acid each through an ester linkage. Phosphatidylcholines Organic compounds Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines Aliphatic acyclic compounds Amines Carbonyl compounds Carboxylic acid esters Dialkyl phosphates Dicarboxylic acids and derivatives Fatty acid esters Hydrocarbon derivatives Organic cations Organic oxides Organic salts Organopnictogen compounds Phosphocholines Tetraalkylammonium salts Aliphatic acyclic compound Alkyl phosphate Amine Carbonyl group Carboxylic acid derivative Carboxylic acid ester Diacylglycero-3-phosphocholine Dialkyl phosphate Dicarboxylic acid or derivatives Fatty acid ester Fatty acyl Hydrocarbon derivative Organic cation Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organic salt Organonitrogen compound Organooxygen compound Organopnictogen compound Phosphocholine Phosphoric acid ester Quaternary ammonium salt Tetraalkylammonium salt Diacylglycerophosphocholines logp 5.42 ALOGPS logs -7.54 ALOGPS solubility 2.29e-05 g/l ALOGPS logp 8.2 ChemAxon pka_strongest_acidic 1.86 ChemAxon pka_strongest_basic -6.7 ChemAxon iupac (2-{[(2R)-2-[(11Z)-icos-11-enoyloxy]-3-(tridecanoyloxy)propyl phosphono]oxy}ethyl)trimethylazanium ChemAxon average_mass 746.064 ChemAxon mono_mass 745.562155538 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C41H80NO8P ChemAxon inchi InChI=1S/C41H80NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42(3,4)5)37-47-40(43)33-31-29-27-25-17-15-13-11-9-7-2/h19-20,39H,6-18,21-38H2,1-5H3/b20-19-/t39-/m1/s1 ChemAxon inchikey HILNHYCWLDRSKJ-DPTAKULKSA-N ChemAxon polar_surface_area 111.19 ChemAxon refractivity 221.58 ChemAxon polarizability 90.71 ChemAxon rotatable_bond_count 40 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Milk (Cow) Type 2 specific 147.39625 815.0 0.92 uM