1.0 2020-03-04 16:42:24 UTC 2020-04-22 15:58:47 UTC BMDB0064371 BMDB64371 DG(i-12:0/i-19:0/0:0) 1-Isododecanoyl-2-isononadecanoyl-sn-glycerol Diacylglycerol(i-12:0/i-19:0) Diacylglycerol(31:0) DAG(31:0) Diglyceride DAG(I-12:0/I-19:0) DG(31:0) Diacylglycerol DG(I-12:0/I-19:0) DG(i-12:0/i-19:0/0:0) C34H66O5 554.897 554.491025225 (2S)-1-hydroxy-3-[(10-methylundecanoyl)oxy]propan-2-yl 17-methyloctadecanoate (2S)-1-hydroxy-3-[(10-methylundecanoyl)oxy]propan-2-yl 17-methyloctadecanoate [H][C@](CO)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C InChI=1S/C34H66O5/c1-30(2)24-20-16-12-10-8-6-5-7-9-11-13-19-23-27-34(37)39-32(28-35)29-38-33(36)26-22-18-15-14-17-21-25-31(3)4/h30-32,35H,5-29H2,1-4H3/t32-/m0/s1 BQXOMGAXGVYMJG-YTTGMZPUSA-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 9.39 ALOGPS logs -7.41 ALOGPS logp 11.24 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-1-hydroxy-3-[(10-methylundecanoyl)oxy]propan-2-yl 17-methyloctadecanoate ChemAxon average_mass 554.897 ChemAxon mono_mass 554.491025225 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C ChemAxon formula C34H66O5 ChemAxon inchi InChI=1S/C34H66O5/c1-30(2)24-20-16-12-10-8-6-5-7-9-11-13-19-23-27-34(37)39-32(28-35)29-38-33(36)26-22-18-15-14-17-21-25-31(3)4/h30-32,35H,5-29H2,1-4H3/t32-/m0/s1 ChemAxon inchikey BQXOMGAXGVYMJG-YTTGMZPUSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 162.99 ChemAxon polarizability 72.37 ChemAxon rotatable_bond_count 31 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 49307 Specdb::CMs 281841 Specdb::CMs 339753 Specdb::MsMs 564037 Specdb::MsMs 564038 Specdb::MsMs 564039 Specdb::MsMs 2416051 Specdb::MsMs 2416052 Specdb::MsMs 2416053 Specdb::MsMs 2535950 Specdb::MsMs 2535951 Specdb::MsMs 2535952 Specdb::MsMs 2546568 Specdb::MsMs 2546569 Specdb::MsMs 2546570 Specdb::MsMs 2999104 Specdb::MsMs 2999105 Specdb::MsMs 2999106 74858048 FDB065061 131802169