1.0 2020-03-25 15:32:48 UTC 2020-04-22 18:57:15 UTC BMDB0096301 DG(15:0/0:0/24:0) (2R)-2-Hydroxy-3-(pentadecanoyloxy)propyl tetracosanoic acid Diglyceride DG(39:0) DAG(15:0/0:0/24:0) DAG(39:0) Diacylglycerol(15:0/0:0/24:0) Diacylglycerol 1-Pentadecanoyl-3-lignoceroyl-sn-glycerol 1-Pentadecanoyl-3-tetracosanoyl-sn-glycerol Diacylglycerol(39:0) DG(15:0/0:0/24:0) C42H82O5 667.113 666.61622574 (2R)-2-hydroxy-3-(pentadecanoyloxy)propyl tetracosanoate (2R)-2-hydroxy-3-(pentadecanoyloxy)propyl tetracosanoate [H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC InChI=1S/C42H82O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-42(45)47-39-40(43)38-46-41(44)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h40,43H,3-39H2,1-2H3/t40-/m1/s1 NFWLRAJUZSTKQF-RRHRGVEJSA-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 10.59 ALOGPS logs -7.63 ALOGPS logp 15.12 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2R)-2-hydroxy-3-(pentadecanoyloxy)propyl tetracosanoate ChemAxon average_mass 667.113 ChemAxon mono_mass 666.61622574 ChemAxon smiles [H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC ChemAxon formula C42H82O5 ChemAxon inchi InChI=1S/C42H82O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-42(45)47-39-40(43)38-46-41(44)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h40,43H,3-39H2,1-2H3/t40-/m1/s1 ChemAxon inchikey NFWLRAJUZSTKQF-RRHRGVEJSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 199.91 ChemAxon polarizability 90.95 ChemAxon rotatable_bond_count 41 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 700240 Specdb::CMs 700241 Specdb::MsMs 3044539 Specdb::MsMs 3044540 Specdb::MsMs 3044541 Specdb::MsMs 3099307 Specdb::MsMs 3099308 Specdb::MsMs 3099309 74854359 131801713 FDB098447