1.0 2020-04-03 16:40:58 UTC 2020-04-03 16:41:00 UTC FDB098177 TG(4:0/16:0/17:0) C40H76O6 653.042 652.564190167 (2S)-3-(butanoyloxy)-2-(hexadecanoyloxy)propyl heptadecanoate (2S)-3-(butanoyloxy)-2-(hexadecanoyloxy)propyl heptadecanoate [H][C@](COC(=O)CCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC InChI=1S/C40H76O6/c1-4-7-9-11-13-15-17-19-21-22-24-26-28-30-33-39(42)45-36-37(35-44-38(41)32-6-3)46-40(43)34-31-29-27-25-23-20-18-16-14-12-10-8-5-2/h37H,4-36H2,1-3H3/t37-/m0/s1 VJWVCPAYJXNGCJ-QNGWXLTQSA-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 10.09 ALOGPS logs -7.72 ALOGPS solubility 1.25e-05 g/l ALOGPS logp 14.03 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-(butanoyloxy)-2-(hexadecanoyloxy)propyl heptadecanoate ChemAxon average_mass 653.042 ChemAxon mono_mass 652.564190167 ChemAxon smiles [H][C@](COC(=O)CCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC ChemAxon formula C40H76O6 ChemAxon inchi InChI=1S/C40H76O6/c1-4-7-9-11-13-15-17-19-21-22-24-26-28-30-33-39(42)45-36-37(35-44-38(41)32-6-3)46-40(43)34-31-29-27-25-23-20-18-16-14-12-10-8-5-2/h37H,4-36H2,1-3H3/t37-/m0/s1 ChemAxon inchikey VJWVCPAYJXNGCJ-QNGWXLTQSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 190.68 ChemAxon polarizability 85.47 ChemAxon rotatable_bond_count 39 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1309414 Specdb::MsMs 1309415 Specdb::MsMs 1309416 Specdb::MsMs 1423915 Specdb::MsMs 1423916 Specdb::MsMs 1423917 Milk (Cow) Type 2 specific