1.0 2019-08-08 07:31:54 UTC 2020-02-24 19:11:02 UTC FDB044600 TG(8:0/12:0/14:0) C37H70O6 610.961 610.517239974 (2S)-2-(dodecanoyloxy)-3-(octanoyloxy)propyl tetradecanoate (2S)-2-(dodecanoyloxy)-3-(octanoyloxy)propyl tetradecanoate [H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC InChI=1S/C37H70O6/c1-4-7-10-13-15-17-18-20-21-24-27-30-36(39)42-33-34(32-41-35(38)29-26-23-12-9-6-3)43-37(40)31-28-25-22-19-16-14-11-8-5-2/h34H,4-33H2,1-3H3/t34-/m0/s1 RJHHICMBDSUIHF-UMSFTDKQSA-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 9.51 ALOGPS logs -7.66 ALOGPS solubility 1.34e-05 g/l ALOGPS logp 12.7 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-(dodecanoyloxy)-3-(octanoyloxy)propyl tetradecanoate ChemAxon average_mass 610.961 ChemAxon mono_mass 610.517239974 ChemAxon smiles [H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC ChemAxon formula C37H70O6 ChemAxon inchi InChI=1S/C37H70O6/c1-4-7-10-13-15-17-18-20-21-24-27-30-36(39)42-33-34(32-41-35(38)29-26-23-12-9-6-3)43-37(40)31-28-25-22-19-16-14-11-8-5-2/h34H,4-33H2,1-3H3/t34-/m0/s1 ChemAxon inchikey RJHHICMBDSUIHF-UMSFTDKQSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 176.88 ChemAxon polarizability 79.17 ChemAxon rotatable_bond_count 36 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 621613 Specdb::MsMs 621614 Specdb::MsMs 621615 Specdb::MsMs 2267615 Specdb::MsMs 2267616 Specdb::MsMs 2267617 Specdb::MsMs 2432335 Specdb::MsMs 2432336 Specdb::MsMs 2432337 Specdb::MsMs 2515875 Specdb::MsMs 2515876 Specdb::MsMs 2515877 Specdb::MsMs 2838111 Specdb::MsMs 2838112 Specdb::MsMs 2838113 Specdb::MsMs 3071952 Specdb::MsMs 3071953 Specdb::MsMs 3071954 Milk (Cow) Type 2 specific