1.0 2010-04-08 22:05:39 UTC 2018-05-28 22:16:48 UTC FDB003114 Glycerol trinonadecanoate Probable constituent of fats. 1,2,3-Propanetriyl trinonadecanoate Trinonadecanoin, 8CI C60H116O6 933.5594 932.877191444 1,3-bis(nonadecanoyloxy)propan-2-yl nonadecanoate 1,3-bis(nonadecanoyloxy)propan-2-yl nonadecanoate CCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC InChI=1S/C60H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55-57(66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3 IZTDYXKTXNJHMQ-UHFFFAOYSA-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 Triacylglycerols logp 10.67 ALOGPS logs -7.93 ALOGPS solubility 1.11e-05 g/l ALOGPS melting_point Mp 71° logp 22.93 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 1,3-bis(nonadecanoyloxy)propan-2-yl nonadecanoate ChemAxon average_mass 933.5594 ChemAxon mono_mass 932.877191444 ChemAxon smiles CCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC ChemAxon formula C60H116O6 ChemAxon inchi InChI=1S/C60H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55-57(66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3 ChemAxon inchikey IZTDYXKTXNJHMQ-UHFFFAOYSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 282.7 ChemAxon polarizability 129.59 ChemAxon rotatable_bond_count 59 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 678763 Specdb::MsMs 678764 Specdb::MsMs 678765 Specdb::MsMs 2285443 Specdb::MsMs 2285444 Specdb::MsMs 2285445 Specdb::MsMs 2431399 Specdb::MsMs 2431400 Specdb::MsMs 2431401 Specdb::MsMs 2466147 Specdb::MsMs 2466148 Specdb::MsMs 2466149 Specdb::MsMs 2507941 Specdb::MsMs 2507942 Specdb::MsMs 2507943 Specdb::MsMs 2887535 Specdb::MsMs 2887536 Specdb::MsMs 2887537 HMDB31107 #<Reference:0x000055ce2ec36660>