1.0 2019-08-08 06:38:20 UTC 2020-02-24 19:11:02 UTC FDB043937 TG(8:0/14:0/16:0) C41H78O6 667.069 666.579840232 (2S)-3-(octanoyloxy)-2-(tetradecanoyloxy)propyl hexadecanoate (2S)-3-(octanoyloxy)-2-(tetradecanoyloxy)propyl hexadecanoate [H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC InChI=1S/C41H78O6/c1-4-7-10-13-15-17-19-20-22-23-25-28-31-34-40(43)46-37-38(36-45-39(42)33-30-27-12-9-6-3)47-41(44)35-32-29-26-24-21-18-16-14-11-8-5-2/h38H,4-37H2,1-3H3/t38-/m0/s1 LONDUFXOLIQUKZ-LHEWISCISA-N belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages. Triacylglycerols Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Organic oxides Tricarboxylic acids and derivatives Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives logp 10.02 ALOGPS logs -7.72 ALOGPS solubility 1.28e-05 g/l ALOGPS logp 14.48 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-(octanoyloxy)-2-(tetradecanoyloxy)propyl hexadecanoate ChemAxon average_mass 667.069 ChemAxon mono_mass 666.579840232 ChemAxon smiles [H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC ChemAxon formula C41H78O6 ChemAxon inchi InChI=1S/C41H78O6/c1-4-7-10-13-15-17-19-20-22-23-25-28-31-34-40(43)46-37-38(36-45-39(42)33-30-27-12-9-6-3)47-41(44)35-32-29-26-24-21-18-16-14-11-8-5-2/h38H,4-37H2,1-3H3/t38-/m0/s1 ChemAxon inchikey LONDUFXOLIQUKZ-LHEWISCISA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 195.28 ChemAxon polarizability 87.72 ChemAxon rotatable_bond_count 40 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 198761 Specdb::MsMs 682006 Specdb::MsMs 682007 Specdb::MsMs 682008 Specdb::MsMs 2397177 Specdb::MsMs 2397178 Specdb::MsMs 2397179 Specdb::MsMs 2405207 Specdb::MsMs 2405208 Specdb::MsMs 2405209 Specdb::MsMs 2541080 Specdb::MsMs 2541081 Specdb::MsMs 2541082 Specdb::MsMs 2683137 Specdb::MsMs 2683138 Specdb::MsMs 2683139 Specdb::MsMs 3088693 Specdb::MsMs 3088694 Specdb::MsMs 3088695 Milk (Cow) Type 2 specific