1.0 2020-03-04 17:10:24 UTC 2020-04-22 16:08:31 UTC BMDB0065911 BMDB65911 DG(a-25:0/0:0/a-25:0) 1-Anteisopentacosanoyl-3-anteisopentacosanoyl-sn-glycerol Diacylglycerol(50:0) DAG(50:0) DAG(A-25:0/0:0/A-25:0) Diglyceride Diacylglycerol(a-25:0/0:0/a-25:0) Diacylglycerol DG(50:0) DG(a-25:0/0:0/a-25:0) C53H104O5 821.41 820.788376449 2-hydroxy-3-[(22-methyltetracosanoyl)oxy]propyl 22-methyltetracosanoate 2-hydroxy-3-[(22-methyltetracosanoyl)oxy]propyl 22-methyltetracosanoate [H]C(O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC InChI=1S/C53H104O5/c1-5-49(3)43-39-35-31-27-23-19-15-11-7-9-13-17-21-25-29-33-37-41-45-52(55)57-47-51(54)48-58-53(56)46-42-38-34-30-26-22-18-14-10-8-12-16-20-24-28-32-36-40-44-50(4)6-2/h49-51,54H,5-48H2,1-4H3 CDZAEBUHQYUTMR-UHFFFAOYSA-N belongs to the class of organic compounds known as 1,3-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 3. Organic compounds Lipids and lipid-like molecules Glycerolipids Diradylglycerols 1,3-diacylglycerols Carbonyl compounds Carboxylic acid esters Dicarboxylic acids and derivatives Fatty acid esters Hydrocarbon derivatives Organic oxides Secondary alcohols 1,3-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 Secondary alcohol Aliphatic acyclic compounds logp 10.92 ALOGPS logs -7.83 ALOGPS logp 19.69 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac 2-hydroxy-3-[(22-methyltetracosanoyl)oxy]propyl 22-methyltetracosanoate ChemAxon average_mass 821.41 ChemAxon mono_mass 820.788376449 ChemAxon smiles [H]C(O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC ChemAxon formula C53H104O5 ChemAxon inchi InChI=1S/C53H104O5/c1-5-49(3)43-39-35-31-27-23-19-15-11-7-9-13-17-21-25-29-33-37-41-45-52(55)57-47-51(54)48-58-53(56)46-42-38-34-30-26-22-18-14-10-8-12-16-20-24-28-32-36-40-44-50(4)6-2/h49-51,54H,5-48H2,1-4H3 ChemAxon inchikey CDZAEBUHQYUTMR-UHFFFAOYSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 250.41 ChemAxon polarizability 113.63 ChemAxon rotatable_bond_count 50 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 791252 Specdb::MsMs 3038210 Specdb::MsMs 3038211 Specdb::MsMs 3038212 Specdb::MsMs 3106151 Specdb::MsMs 3106152 Specdb::MsMs 3106153 74849626 131800912 FDB066597