1.0 2019-08-07 20:11:56 UTC 2020-04-06 23:39:27 UTC FDB035091 TG(i-19:0/i-22:0/i-22:0) C66H128O6 1017.744 1016.971091842 (2R)-1-[(20-methylhenicosanoyl)oxy]-3-[(17-methyloctadecanoyl)oxy]propan-2-yl 20-methylhenicosanoate (2R)-1-[(20-methylhenicosanoyl)oxy]-3-[(17-methyloctadecanoyl)oxy]propan-2-yl 20-methylhenicosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C InChI=1S/C66H128O6/c1-60(2)52-46-40-34-28-22-16-11-7-9-13-19-25-31-37-43-49-55-64(67)70-58-63(59-71-65(68)56-50-44-38-32-26-21-15-18-24-30-36-42-48-54-62(5)6)72-66(69)57-51-45-39-33-27-20-14-10-8-12-17-23-29-35-41-47-53-61(3)4/h60-63H,7-59H2,1-6H3/t63-/m1/s1 GXWYCTZEWDRFPU-AFLCPGBUSA-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 10.32 ALOGPS logs -7.96 ALOGPS solubility 1.11e-05 g/l ALOGPS logp 25.12 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-[(20-methylhenicosanoyl)oxy]-3-[(17-methyloctadecanoyl)oxy]propan-2-yl 20-methylhenicosanoate ChemAxon average_mass 1017.744 ChemAxon mono_mass 1016.971091842 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C ChemAxon formula C66H128O6 ChemAxon inchi InChI=1S/C66H128O6/c1-60(2)52-46-40-34-28-22-16-11-7-9-13-19-25-31-37-43-49-55-64(67)70-58-63(59-71-65(68)56-50-44-38-32-26-21-15-18-24-30-36-42-48-54-62(5)6)72-66(69)57-51-45-39-33-27-20-14-10-8-12-17-23-29-35-41-47-53-61(3)4/h60-63H,7-59H2,1-6H3/t63-/m1/s1 ChemAxon inchikey GXWYCTZEWDRFPU-AFLCPGBUSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 310.15 ChemAxon polarizability 140.57 ChemAxon rotatable_bond_count 62 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 225098 Specdb::MsMs 601321 Specdb::MsMs 601322 Specdb::MsMs 601323 Specdb::MsMs 2496251 Specdb::MsMs 2496252 Specdb::MsMs 2496253 Specdb::MsMs 2606935 Specdb::MsMs 2606936 Specdb::MsMs 2606937 Specdb::MsMs 2689451 Specdb::MsMs 2689452 Specdb::MsMs 2689453 Specdb::MsMs 2818164 Specdb::MsMs 2818165 Specdb::MsMs 2818166 Specdb::MsMs 2988794 Specdb::MsMs 2988795 Specdb::MsMs 2988796 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