1.0 2019-08-15 17:08:49 UTC 2020-02-24 19:11:04 UTC FDB075723 TG(16:0/14:0/10:0) C43H82O6 695.123 694.61114036 (2R)-3-(decanoyloxy)-2-(tetradecanoyloxy)propyl hexadecanoate (2R)-3-(decanoyloxy)-2-(tetradecanoyloxy)propyl hexadecanoate [H][C@@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC InChI=1S/C43H82O6/c1-4-7-10-13-16-18-20-21-23-24-27-30-33-36-42(45)48-39-40(38-47-41(44)35-32-29-26-15-12-9-6-3)49-43(46)37-34-31-28-25-22-19-17-14-11-8-5-2/h40H,4-39H2,1-3H3/t40-/m1/s1 SMIGULGEODNQEX-RRHRGVEJSA-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 10.19 ALOGPS logs -7.74 ALOGPS solubility 1.26e-05 g/l ALOGPS logp 15.37 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-3-(decanoyloxy)-2-(tetradecanoyloxy)propyl hexadecanoate ChemAxon average_mass 695.123 ChemAxon mono_mass 694.61114036 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC ChemAxon formula C43H82O6 ChemAxon inchi InChI=1S/C43H82O6/c1-4-7-10-13-16-18-20-21-23-24-27-30-33-36-42(45)48-39-40(38-47-41(44)35-32-29-26-15-12-9-6-3)49-43(46)37-34-31-28-25-22-19-17-14-11-8-5-2/h40H,4-39H2,1-3H3/t40-/m1/s1 ChemAxon inchikey SMIGULGEODNQEX-RRHRGVEJSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 204.48 ChemAxon polarizability 92.14 ChemAxon rotatable_bond_count 42 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 231758 Specdb::MsMs 654430 Specdb::MsMs 654431 Specdb::MsMs 654432 Specdb::MsMs 2493458 Specdb::MsMs 2493459 Specdb::MsMs 2493460 Specdb::MsMs 2717214 Specdb::MsMs 2717215 Specdb::MsMs 2717216 Specdb::MsMs 2807471 Specdb::MsMs 2807472 Specdb::MsMs 2807473 Specdb::MsMs 2961312 Specdb::MsMs 2961313 Specdb::MsMs 2961314 Specdb::MsMs 3022110 Specdb::MsMs 3022111 Specdb::MsMs 3022112 Milk (Cow) Type 2 specific