1.0 2019-08-08 00:56:53 UTC 2020-04-06 23:39:51 UTC FDB039254 TG(a-21:0/i-19:0/a-13:0)[rac] C56H108O6 877.474 876.814591198 (2S)-3-[(10-methyldodecanoyl)oxy]-2-[(17-methyloctadecanoyl)oxy]propyl 18-methylicosanoate (2S)-3-[(10-methyldodecanoyl)oxy]-2-[(17-methyloctadecanoyl)oxy]propyl 18-methylicosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC(C)C InChI=1S/C56H108O6/c1-7-51(5)43-37-31-25-21-17-13-9-10-14-18-22-26-33-39-45-54(57)60-48-53(49-61-55(58)46-40-34-29-28-32-38-44-52(6)8-2)62-56(59)47-41-35-27-23-19-15-11-12-16-20-24-30-36-42-50(3)4/h50-53H,7-49H2,1-6H3/t51?,52?,53-/m0/s1 BXBQJIFQKWBFFJ-WHJZSGOTSA-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 10.43 ALOGPS logs -7.95 ALOGPS solubility 9.90e-06 g/l ALOGPS logp 20.67 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(10-methyldodecanoyl)oxy]-2-[(17-methyloctadecanoyl)oxy]propyl 18-methylicosanoate ChemAxon average_mass 877.474 ChemAxon mono_mass 876.814591198 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC(C)C ChemAxon formula C56H108O6 ChemAxon inchi InChI=1S/C56H108O6/c1-7-51(5)43-37-31-25-21-17-13-9-10-14-18-22-26-33-39-45-54(57)60-48-53(49-61-55(58)46-40-34-29-28-32-38-44-52(6)8-2)62-56(59)47-41-35-27-23-19-15-11-12-16-20-24-30-36-42-50(3)4/h50-53H,7-49H2,1-6H3/t51?,52?,53-/m0/s1 ChemAxon inchikey BXBQJIFQKWBFFJ-WHJZSGOTSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 264.14 ChemAxon polarizability 118.87 ChemAxon rotatable_bond_count 52 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 592384 Specdb::MsMs 592385 Specdb::MsMs 592386 Specdb::MsMs 2329065 Specdb::MsMs 2329066 Specdb::MsMs 2329067 Specdb::MsMs 2493056 Specdb::MsMs 2493057 Specdb::MsMs 2493058 Specdb::MsMs 2636143 Specdb::MsMs 2636144 Specdb::MsMs 2636145 Specdb::MsMs 2807054 Specdb::MsMs 2807055 Specdb::MsMs 2807056 Specdb::MsMs 2875247 Specdb::MsMs 2875248 Specdb::MsMs 2875249 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