1.0 2019-08-09 22:25:15 UTC 2020-04-06 23:40:30 UTC FDB066015 DG(i-19:0/i-17:0/0:0) C39H76O5 625.032 624.569275547 (2S)-3-hydroxy-2-[(15-methylhexadecanoyl)oxy]propyl 17-methyloctadecanoate (2S)-3-hydroxy-2-[(15-methylhexadecanoyl)oxy]propyl 17-methyloctadecanoate [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C InChI=1S/C39H76O5/c1-35(2)29-25-21-17-13-9-6-5-7-11-15-19-23-27-31-38(41)43-34-37(33-40)44-39(42)32-28-24-20-16-12-8-10-14-18-22-26-30-36(3)4/h35-37,40H,5-34H2,1-4H3/t37-/m0/s1 XBYKAQPSPOVXJE-QNGWXLTQSA-N belongs to the class of organic compounds known as 1,2-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 2. 1,2-diacylglycerols Organic compounds Lipids and lipid-like molecules Glycerolipids Diradylglycerols Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Dicarboxylic acids and derivatives Fatty acid esters Hydrocarbon derivatives Organic oxides Primary alcohols 1,2-acyl-sn-glycerol Alcohol Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol logp 10.04 ALOGPS logs -7.55 ALOGPS solubility 1.78e-05 g/l ALOGPS logp 13.47 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-3-hydroxy-2-[(15-methylhexadecanoyl)oxy]propyl 17-methyloctadecanoate ChemAxon average_mass 625.032 ChemAxon mono_mass 624.569275547 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C ChemAxon formula C39H76O5 ChemAxon inchi InChI=1S/C39H76O5/c1-35(2)29-25-21-17-13-9-6-5-7-11-15-19-23-27-31-38(41)43-34-37(33-40)44-39(42)32-28-24-20-16-12-8-10-14-18-22-26-30-36(3)4/h35-37,40H,5-34H2,1-4H3/t37-/m0/s1 ChemAxon inchikey XBYKAQPSPOVXJE-QNGWXLTQSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 186 ChemAxon polarizability 82.83 ChemAxon rotatable_bond_count 36 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 50097 Specdb::CMs 560862 Specdb::CMs 793022 Specdb::MsMs 637630 Specdb::MsMs 637631 Specdb::MsMs 637632 Specdb::MsMs 2430220 Specdb::MsMs 2430221 Specdb::MsMs 2430222 Specdb::MsMs 2508598 Specdb::MsMs 2508599 Specdb::MsMs 2508600 Specdb::MsMs 2779867 Specdb::MsMs 2779868 Specdb::MsMs 2779869 Specdb::MsMs 2848976 Specdb::MsMs 2848977 Specdb::MsMs 2848978 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