1.0 2020-03-04 16:58:20 UTC 2020-04-22 16:04:12 UTC BMDB0065229 BMDB65229 DG(18:0/19:0/0:0) DAG(37:0) DG(18:0/19:0) DAG(18:0/19:0) Diglyceride 1-Stearoyl-2--sn-glycerol DG(37:0) Diacylglycerol(18:0/19:0) Diacylglycerol Diacylglycerol(37:0) 1-Octadecanoyl-2-nonadecanoyl-sn-glycerol 1-Stearoyl-2-nonadecanoyl-sn-glycerol DG(18:0/19:0/0:0) C40H78O5 639.059 638.584925612 (2S)-1-hydroxy-3-(octadecanoyloxy)propan-2-yl nonadecanoate (2S)-1-hydroxy-3-(octadecanoyloxy)propan-2-yl nonadecanoate [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC InChI=1S/C40H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-38(36-41)37-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38,41H,3-37H2,1-2H3/t38-/m0/s1 RBLCJWPXBVOKTA-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 Diacylglycerols logp 10.43 ALOGPS logs -7.61 ALOGPS logp 14.23 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-1-hydroxy-3-(octadecanoyloxy)propan-2-yl nonadecanoate ChemAxon average_mass 639.059 ChemAxon mono_mass 638.584925612 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC ChemAxon formula C40H78O5 ChemAxon inchi InChI=1S/C40H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-38(36-41)37-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38,41H,3-37H2,1-2H3/t38-/m0/s1 ChemAxon inchikey RBLCJWPXBVOKTA-LHEWISCISA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 190.7 ChemAxon polarizability 85.51 ChemAxon rotatable_bond_count 39 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::MsMs 563599 Specdb::MsMs 563600 Specdb::MsMs 563601 Specdb::MsMs 2331405 Specdb::MsMs 2331406 Specdb::MsMs 2331407 Specdb::MsMs 2464401 Specdb::MsMs 2464402 Specdb::MsMs 2464403 Specdb::MsMs 2500595 Specdb::MsMs 2500596 Specdb::MsMs 2500597 Specdb::MsMs 3089578 Specdb::MsMs 3089579 Specdb::MsMs 3089580 Specdb::CMs 601911 Specdb::CMs 601912 Specdb::CMs 793407 7822681 FDB065914 9543731