1.0 2019-08-10 01:17:55 UTC 2025-11-19 03:04:57 UTC FDB067372 TG(12:0/16:0/18:0) C49H94O6 779.285 778.705040747 (2S)-3-(dodecanoyloxy)-2-(hexadecanoyloxy)propyl octadecanoate (2S)-3-(dodecanoyloxy)-2-(hexadecanoyloxy)propyl octadecanoate [H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC InChI=1S/C49H94O6/c1-4-7-10-13-16-19-21-23-24-26-27-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-18-15-12-9-6-3)55-49(52)43-40-37-34-31-28-25-22-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3/t46-/m0/s1 HBNALZRPCNRSPZ-DXQCBLCSSA-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 10.54 ALOGPS logs -7.80 ALOGPS solubility 1.24e-05 g/l ALOGPS logp 18.04 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-(dodecanoyloxy)-2-(hexadecanoyloxy)propyl octadecanoate ChemAxon average_mass 779.285 ChemAxon mono_mass 778.705040747 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC ChemAxon formula C49H94O6 ChemAxon inchi InChI=1S/C49H94O6/c1-4-7-10-13-16-19-21-23-24-26-27-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-18-15-12-9-6-3)55-49(52)43-40-37-34-31-28-25-22-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3/t46-/m0/s1 ChemAxon inchikey HBNALZRPCNRSPZ-DXQCBLCSSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 232.09 ChemAxon polarizability 104.86 ChemAxon rotatable_bond_count 48 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 183475 Specdb::MsMs 2359667 Specdb::MsMs 2359668 Specdb::MsMs 2359669 Specdb::MsMs 2536013 Specdb::MsMs 2536014 Specdb::MsMs 2536015 Specdb::MsMs 2750758 Specdb::MsMs 2750759 Specdb::MsMs 2750760 Specdb::MsMs 3038294 Specdb::MsMs 3038295 Specdb::MsMs 3038296 Specdb::MsMs 3105971 Specdb::MsMs 3105972 Specdb::MsMs 3105973 Milk (Cow) Type 2 specific