1.0 2010-04-08 22:05:39 UTC 2018-05-28 22:16:45 UTC FDB003095 Glycerol triheneicosanoate Probable constituent of fats. 1,2,3-Propanetriyl triheneicosanoate Triheneicosanoin C66H128O6 1017.7189 1016.971091828 1,3-bis(henicosanoyloxy)propan-2-yl henicosanoate 1,3-bis(henicosanoyloxy)propan-2-yl henicosanoate 26536-14-1 CCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC InChI=1S/C66H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h63H,4-62H2,1-3H3 UTPJJAGAXCDLAG-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 10.65 ALOGPS logs -7.95 ALOGPS solubility 1.14e-05 g/l ALOGPS melting_point Mp 75.9° logp 25.59 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 1,3-bis(henicosanoyloxy)propan-2-yl henicosanoate ChemAxon average_mass 1017.7189 ChemAxon mono_mass 1016.971091828 ChemAxon smiles CCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC ChemAxon formula C66H128O6 ChemAxon inchi InChI=1S/C66H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h63H,4-62H2,1-3H3 ChemAxon inchikey UTPJJAGAXCDLAG-UHFFFAOYSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 310.31 ChemAxon polarizability 142.4 ChemAxon rotatable_bond_count 65 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 625330 Specdb::MsMs 625331 Specdb::MsMs 625332 Specdb::MsMs 2301747 Specdb::MsMs 2301748 Specdb::MsMs 2301749 Specdb::MsMs 2598031 Specdb::MsMs 2598032 Specdb::MsMs 2598033 Specdb::MsMs 2703111 Specdb::MsMs 2703112 Specdb::MsMs 2703113 Specdb::MsMs 3062288 Specdb::MsMs 3062289 Specdb::MsMs 3062290 Specdb::MsMs 3064215 Specdb::MsMs 3064216 Specdb::MsMs 3064217 HMDB31090 #<Reference:0x000055ce3199cf78>