1.0 2020-03-04 16:58:26 UTC 2020-04-22 16:04:15 UTC BMDB0065235 BMDB65235 DG(18:0/i-19:0/0:0) 1-Octadecanoyl-2-isononadecanoyl-sn-glycerol DAG(18:0/I-19:0) DAG(37:0) Diglyceride DG(18:0/I-19:0) DG(37:0) Diacylglycerol Diacylglycerol(18:0/i-19:0) 1-Stearoyl-2-isononadecanoyl-sn-glycerol Diacylglycerol(37:0) DG(18:0/i-19:0/0:0) C40H78O5 639.059 638.584925612 (2S)-1-hydroxy-3-(octadecanoyloxy)propan-2-yl 17-methyloctadecanoate (2S)-1-hydroxy-3-(octadecanoyloxy)propan-2-yl 17-methyloctadecanoate [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C InChI=1S/C40H78O5/c1-4-5-6-7-8-9-10-11-12-15-18-21-24-27-30-33-39(42)44-36-38(35-41)45-40(43)34-31-28-25-22-19-16-13-14-17-20-23-26-29-32-37(2)3/h37-38,41H,4-36H2,1-3H3/t38-/m0/s1 YSDVKJNBJWQLRX-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 10.32 ALOGPS logs -7.60 ALOGPS logp 14.07 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-1-hydroxy-3-(octadecanoyloxy)propan-2-yl 17-methyloctadecanoate ChemAxon average_mass 639.059 ChemAxon mono_mass 638.584925612 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C ChemAxon formula C40H78O5 ChemAxon inchi InChI=1S/C40H78O5/c1-4-5-6-7-8-9-10-11-12-15-18-21-24-27-30-33-39(42)44-36-38(35-41)45-40(43)34-31-28-25-22-19-16-13-14-17-20-23-26-29-32-37(2)3/h37-38,41H,4-36H2,1-3H3/t38-/m0/s1 ChemAxon inchikey YSDVKJNBJWQLRX-LHEWISCISA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 190.65 ChemAxon polarizability 85.23 ChemAxon rotatable_bond_count 38 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 601923 Specdb::CMs 601924 Specdb::CMs 793413 Specdb::MsMs 665782 Specdb::MsMs 665783 Specdb::MsMs 665784 Specdb::MsMs 2547763 Specdb::MsMs 2547764 Specdb::MsMs 2547765 Specdb::MsMs 2779780 Specdb::MsMs 2779781 Specdb::MsMs 2779782 Specdb::MsMs 2903061 Specdb::MsMs 2903062 Specdb::MsMs 2903063 Specdb::MsMs 3103907 Specdb::MsMs 3103908 Specdb::MsMs 3103909 74858466 FDB065920 131802568