1.0 2020-03-04 16:46:37 UTC 2020-04-22 16:00:06 UTC BMDB0064581 BMDB64581 DG(i-13:0/i-24:0/0:0) 1-Isotridecanoyl-2-isotetracosanoyl-sn-glycerol Diacylglycerol(i-13:0/i-24:0) DAG(I-13:0/I-24:0) Diglyceride DAG(37:0) Diacylglycerol(37:0) Diacylglycerol DG(I-13:0/I-24:0) DG(37:0) DG(i-13:0/i-24:0/0:0) C40H78O5 639.059 638.584925612 (2S)-1-hydroxy-3-[(11-methyldodecanoyl)oxy]propan-2-yl 22-methyltricosanoate (2S)-1-hydroxy-3-[(11-methyldodecanoyl)oxy]propan-2-yl 22-methyltricosanoate [H][C@](CO)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C InChI=1S/C40H78O5/c1-36(2)30-26-22-18-15-13-11-9-7-5-6-8-10-12-14-16-20-25-29-33-40(43)45-38(34-41)35-44-39(42)32-28-24-21-17-19-23-27-31-37(3)4/h36-38,41H,5-35H2,1-4H3/t38-/m0/s1 YCBUWGLEUSEEIO-LHEWISCISA-N belongs to the class of organic compounds known as 1,2-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 2. Organic compounds Lipids and lipid-like molecules Glycerolipids Diradylglycerols 1,2-diacylglycerols Carbonyl compounds Carboxylic acid esters Dicarboxylic acids and derivatives Fatty acid esters Hydrocarbon derivatives Organic oxides Primary alcohols 1,2-acyl-sn-glycerol Alcohol Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol Aliphatic acyclic compounds logp 10.17 ALOGPS logs -7.58 ALOGPS logp 13.91 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-1-hydroxy-3-[(11-methyldodecanoyl)oxy]propan-2-yl 22-methyltricosanoate ChemAxon average_mass 639.059 ChemAxon mono_mass 638.584925612 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C ChemAxon formula C40H78O5 ChemAxon inchi InChI=1S/C40H78O5/c1-36(2)30-26-22-18-15-13-11-9-7-5-6-8-10-12-14-16-20-25-29-33-40(43)45-38(34-41)35-44-39(42)32-28-24-21-17-19-23-27-31-37(3)4/h36-38,41H,5-35H2,1-4H3/t38-/m0/s1 ChemAxon inchikey YCBUWGLEUSEEIO-LHEWISCISA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 190.6 ChemAxon polarizability 85.26 ChemAxon rotatable_bond_count 37 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 601835 Specdb::CMs 601836 Specdb::CMs 793369 Specdb::MsMs 632992 Specdb::MsMs 632993 Specdb::MsMs 632994 Specdb::MsMs 2551802 Specdb::MsMs 2551803 Specdb::MsMs 2551804 Specdb::MsMs 2614003 Specdb::MsMs 2614004 Specdb::MsMs 2614005 Specdb::MsMs 2667772 Specdb::MsMs 2667773 Specdb::MsMs 2667774 Specdb::MsMs 3014138 Specdb::MsMs 3014139 Specdb::MsMs 3014140 74858150 FDB065270 131802262