1.0 2020-03-04 17:01:39 UTC 2020-04-22 16:05:23 UTC BMDB0065414 BMDB65414 DG(20:0/a-13:0/0:0) 1-arachidoyl-2-anteisotridecanoyl-sn-glycerol DG(20:0/a-13:0) DG(33:0) Dag(20:0/a-13:0) Dag(33:0) Diacylglycerol(20:0/a-13:0) Diacylglycerol(33:0) Diacylglycerol Diglyceride DG(20:0/a-13:0/0:0) 1-eicosanoyl-2-anteisotridecanoyl-sn-glycerol 1-arachidonyl-2-anteisotridecanoyl-sn-glycerol (2S)-3-Hydroxy-2-[(10-methyldodecanoyl)oxy]propyl icosanoic acid C36H70O5 582.951 582.522325354 (2S)-3-hydroxy-2-[(10-methyldodecanoyl)oxy]propyl icosanoate (2S)-3-hydroxy-2-[(10-methyldodecanoyl)oxy]propyl icosanoate [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC InChI=1S/C36H70O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-29-35(38)40-32-34(31-37)41-36(39)30-27-24-21-20-22-25-28-33(3)5-2/h33-34,37H,4-32H2,1-3H3/t33?,34-/m0/s1 CBPFHPMVCMVBJR-DNKZHYAASA-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 10.03 ALOGPS logs -7.45 ALOGPS logp 12.29 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-3-hydroxy-2-[(10-methyldodecanoyl)oxy]propyl icosanoate ChemAxon average_mass 582.951 ChemAxon mono_mass 582.522325354 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC ChemAxon formula C36H70O5 ChemAxon inchi InChI=1S/C36H70O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-29-35(38)40-32-34(31-37)41-36(39)30-27-24-21-20-22-25-28-33(3)5-2/h33-34,37H,4-32H2,1-3H3/t33?,34-/m0/s1 ChemAxon inchikey CBPFHPMVCMVBJR-DNKZHYAASA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 172.25 ChemAxon polarizability 76.75 ChemAxon rotatable_bond_count 34 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 50129 Specdb::CMs 282703 Specdb::CMs 405061 Specdb::MsMs 616792 Specdb::MsMs 616793 Specdb::MsMs 616794 Specdb::MsMs 2286229 Specdb::MsMs 2286230 Specdb::MsMs 2286231 Specdb::MsMs 2631050 Specdb::MsMs 2631051 Specdb::MsMs 2631052 Specdb::MsMs 2800654 Specdb::MsMs 2800655 Specdb::MsMs 2800656 Specdb::MsMs 2878775 Specdb::MsMs 2878776 Specdb::MsMs 2878777 FDB066099 74858551 131802653