1.0 2019-08-08 07:52:34 UTC 2020-04-06 23:40:23 UTC FDB044849 MG(0:0/a-17:0/0:0)[rac] C20H40O4 344.536 344.292659768 1,3-dihydroxypropan-2-yl 14-methylhexadecanoate 1,3-dihydroxypropan-2-yl 14-methylhexadecanoate [H]C(CO)(CO)OC(=O)CCCCCCCCCCCCC(C)CC InChI=1S/C20H40O4/c1-3-18(2)14-12-10-8-6-4-5-7-9-11-13-15-20(23)24-19(16-21)17-22/h18-19,21-22H,3-17H2,1-2H3 AQSKXIXYJLNBDB-UHFFFAOYSA-N belongs to the class of organic compounds known as 2-monoacylglycerols. These are monoacylglycerols containing a glycerol acylated at the 2-position. 2-monoacylglycerols Organic compounds Lipids and lipid-like molecules Glycerolipids Monoradylglycerols Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Primary alcohols 2-acyl-sn-glycerol Alcohol Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol logp 6.23 ALOGPS logs -4.92 ALOGPS solubility 4.12e-03 g/l ALOGPS logp 5.37 ChemAxon pka_strongest_acidic 14.28 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1,3-dihydroxypropan-2-yl 14-methylhexadecanoate ChemAxon average_mass 344.536 ChemAxon mono_mass 344.292659768 ChemAxon smiles [H]C(CO)(CO)OC(=O)CCCCCCCCCCCCC(C)CC ChemAxon formula C20H40O4 ChemAxon inchi InChI=1S/C20H40O4/c1-3-18(2)14-12-10-8-6-4-5-7-9-11-13-15-20(23)24-19(16-21)17-22/h18-19,21-22H,3-17H2,1-2H3 ChemAxon inchikey AQSKXIXYJLNBDB-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 98.66 ChemAxon polarizability 43.98 ChemAxon rotatable_bond_count 18 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 49074 Specdb::CMs 151379 Specdb::MsMs 664699 Specdb::MsMs 664700 Specdb::MsMs 664701 Specdb::MsMs 2423800 Specdb::MsMs 2423801 Specdb::MsMs 2423802 Specdb::MsMs 2461066 Specdb::MsMs 2461067 Specdb::MsMs 2461068 Specdb::MsMs 2477102 Specdb::MsMs 2477103 Specdb::MsMs 2477104 Specdb::MsMs 2893751 Specdb::MsMs 2893752 Specdb::MsMs 2893753 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