1.0 2019-08-08 00:58:57 UTC 2020-04-06 23:39:51 UTC FDB039284 TG(i-21:0/18:0/16:0) C58H112O6 905.528 904.845891326 (2R)-3-(hexadecanoyloxy)-2-(octadecanoyloxy)propyl 19-methylicosanoate (2R)-3-(hexadecanoyloxy)-2-(octadecanoyloxy)propyl 19-methylicosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC InChI=1S/C58H112O6/c1-5-7-9-11-13-15-17-19-21-27-31-35-39-43-47-51-58(61)64-55(52-62-56(59)49-45-41-37-33-29-24-18-16-14-12-10-8-6-2)53-63-57(60)50-46-42-38-34-30-26-23-20-22-25-28-32-36-40-44-48-54(3)4/h54-55H,5-53H2,1-4H3/t55-/m1/s1 KBLMCFRUBPQEPH-KZRJWCEASA-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 10.58 ALOGPS logs -7.91 ALOGPS solubility 1.10e-05 g/l ALOGPS logp 21.88 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-3-(hexadecanoyloxy)-2-(octadecanoyloxy)propyl 19-methylicosanoate ChemAxon average_mass 905.528 ChemAxon mono_mass 904.845891326 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC ChemAxon formula C58H112O6 ChemAxon inchi InChI=1S/C58H112O6/c1-5-7-9-11-13-15-17-19-21-27-31-35-39-43-47-51-58(61)64-55(52-62-56(59)49-45-41-37-33-29-24-18-16-14-12-10-8-6-2)53-63-57(60)50-46-42-38-34-30-26-23-20-22-25-28-32-36-40-44-48-54(3)4/h54-55H,5-53H2,1-4H3/t55-/m1/s1 ChemAxon inchikey KBLMCFRUBPQEPH-KZRJWCEASA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 273.44 ChemAxon polarizability 123.93 ChemAxon rotatable_bond_count 56 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 636922 Specdb::MsMs 636923 Specdb::MsMs 636924 Specdb::MsMs 2377942 Specdb::MsMs 2377943 Specdb::MsMs 2377944 Specdb::MsMs 2580429 Specdb::MsMs 2580430 Specdb::MsMs 2580431 Specdb::MsMs 2833089 Specdb::MsMs 2833090 Specdb::MsMs 2833091 Specdb::MsMs 2849027 Specdb::MsMs 2849028 Specdb::MsMs 2849029 Specdb::MsMs 2908500 Specdb::MsMs 2908501 Specdb::MsMs 2908502 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823