1.0 2020-03-26 00:27:08 UTC 2020-04-22 19:24:12 UTC BMDB0100562 TG(22:0/14:0/O-18:0) 1-Behenoyl-2-myristoyl-3-stearyl-glycerol 1-Docosanoyl-2-tetradecanoyl-3-octadecanyl-glycerol TAG(22:0/14:0/18:0) TAG(54:0) TG(22:0/14:0/18:0) TG(54:0) Tracylglycerol(22:0/14:0/18:0) Tracylglycerol(54:0) Triacylglycerol Triglyceride TG(22:0/14:0/o-18:0) (2R)-3-(Octadecyloxy)-2-(tetradecanoyloxy)propyl docosanoic acid C57H112O5 877.518 876.850976706 (2R)-3-(octadecyloxy)-2-(tetradecanoyloxy)propyl docosanoate (2R)-3-(octadecyloxy)-2-(tetradecanoyloxy)propyl docosanoate [H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC InChI=1S/C57H112O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3/t55-/m1/s1 UFCFJEJWLLLXER-KZRJWCEASA-N belongs to the class of organic compounds known as alkyldiacylglycerols. These are triradylglycerols that carry exactly two acyl chains attached to the glycerol moiety through an ester linkage, and one attached through an ester linkage. Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Alkyldiacylglycerols Carbonyl compounds Carboxylic acid esters Dialkyl ethers Dicarboxylic acids and derivatives Fatty acid esters Glycerol ethers Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Alkyldiacylglycerol Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Dicarboxylic acid or derivatives Ether Fatty acid ester Fatty acyl Glycerol ether Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Aliphatic acyclic compounds logp 10.80 ALOGPS logs -7.88 ALOGPS logp 21.97 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac (2R)-3-(octadecyloxy)-2-(tetradecanoyloxy)propyl docosanoate ChemAxon average_mass 877.518 ChemAxon mono_mass 876.850976706 ChemAxon smiles [H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC ChemAxon formula C57H112O5 ChemAxon inchi InChI=1S/C57H112O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3/t55-/m1/s1 ChemAxon inchikey UFCFJEJWLLLXER-KZRJWCEASA-N ChemAxon polar_surface_area 61.83 ChemAxon refractivity 269.14 ChemAxon polarizability 122.19 ChemAxon rotatable_bond_count 56 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 292441 Specdb::MsMs 292442 Specdb::MsMs 292443 Specdb::MsMs 932026 Specdb::MsMs 932027 Specdb::MsMs 932028 Specdb::MsMs 2260399 Specdb::MsMs 2260400 Specdb::MsMs 2260401 Specdb::MsMs 3077859 Specdb::MsMs 3077860 Specdb::MsMs 3077861 131757228