1.0 2020-04-03 16:38:13 UTC 2020-04-03 16:38:15 UTC FDB098154 TG(18:0/16:0/6:0) C43H82O6 695.123 694.61114036 (2R)-2-(hexadecanoyloxy)-3-(hexanoyloxy)propyl octadecanoate (2R)-2-(hexadecanoyloxy)-3-(hexanoyloxy)propyl octadecanoate [H][C@@](COC(=O)CCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC InChI=1S/C43H82O6/c1-4-7-10-12-14-16-18-20-21-23-24-26-28-30-33-36-42(45)48-39-40(38-47-41(44)35-32-9-6-3)49-43(46)37-34-31-29-27-25-22-19-17-15-13-11-8-5-2/h40H,4-39H2,1-3H3/t40-/m1/s1 NJJSVYBVDBGZKT-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 10.27 ALOGPS logs -7.73 ALOGPS solubility 1.30e-05 g/l ALOGPS logp 15.37 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-(hexadecanoyloxy)-3-(hexanoyloxy)propyl octadecanoate ChemAxon average_mass 695.123 ChemAxon mono_mass 694.61114036 ChemAxon smiles [H][C@@](COC(=O)CCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC ChemAxon formula C43H82O6 ChemAxon inchi InChI=1S/C43H82O6/c1-4-7-10-12-14-16-18-20-21-23-24-26-28-30-33-36-42(45)48-39-40(38-47-41(44)35-32-9-6-3)49-43(46)37-34-31-29-27-25-22-19-17-15-13-11-8-5-2/h40H,4-39H2,1-3H3/t40-/m1/s1 ChemAxon inchikey NJJSVYBVDBGZKT-RRHRGVEJSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 204.48 ChemAxon polarizability 92.51 ChemAxon rotatable_bond_count 42 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1239466 Specdb::MsMs 1239467 Specdb::MsMs 1239468 Specdb::MsMs 1354891 Specdb::MsMs 1354892 Specdb::MsMs 1354893 Specdb::MsMs 3218209 Specdb::MsMs 3218210 Specdb::MsMs 3218211 Specdb::MsMs 3610531 Specdb::MsMs 3610532 Specdb::MsMs 3610533 Specdb::MsMs 3610534 Specdb::MsMs 3610535 Specdb::MsMs 3610536 Milk (Cow) Type 2 specific