1.0 2020-03-04 16:53:09 UTC 2020-04-22 16:02:21 UTC BMDB0064937 BMDB64937 DG(16:0/0:0/i-18:0) 1-Hexadecanoyl-3-isooctadecanoyl-sn-glycerol Diacylglycerol(16:0/0:0/i-18:0) DAG(16:0/0:0/I-18:0) Diglyceride 1-Palmitoyl-3-isooctadecanoyl-sn-glycerol Diacylglycerol DG(34:0) DAG(34:0) Diacylglycerol(34:0) DG(16:0/0:0/i-18:0) C37H72O5 596.978 596.537975418 (2R)-3-(hexadecanoyloxy)-2-hydroxypropyl 16-methylheptadecanoate (2R)-3-(hexadecanoyloxy)-2-hydroxypropyl 16-methylheptadecanoate [H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C InChI=1S/C37H72O5/c1-4-5-6-7-8-9-10-11-15-18-21-24-27-30-36(39)41-32-35(38)33-42-37(40)31-28-25-22-19-16-13-12-14-17-20-23-26-29-34(2)3/h34-35,38H,4-33H2,1-3H3/t35-/m1/s1 NEJNJXREZFRTAR-PGUFJCEWSA-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 10.07 ALOGPS logs -7.49 ALOGPS logp 12.73 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2R)-3-(hexadecanoyloxy)-2-hydroxypropyl 16-methylheptadecanoate ChemAxon average_mass 596.978 ChemAxon mono_mass 596.537975418 ChemAxon smiles [H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C ChemAxon formula C37H72O5 ChemAxon inchi InChI=1S/C37H72O5/c1-4-5-6-7-8-9-10-11-15-18-21-24-27-30-36(39)41-32-35(38)33-42-37(40)31-28-25-22-19-16-13-12-14-17-20-23-26-29-34(2)3/h34-35,38H,4-33H2,1-3H3/t35-/m1/s1 ChemAxon inchikey NEJNJXREZFRTAR-PGUFJCEWSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 176.85 ChemAxon polarizability 79.93 ChemAxon rotatable_bond_count 35 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 49825 Specdb::CMs 456410 Specdb::CMs 791948 Specdb::MsMs 2710709 Specdb::MsMs 2710710 Specdb::MsMs 2710711 Specdb::MsMs 2995478 Specdb::MsMs 2995479 Specdb::MsMs 2995480 59692998 131800241 FDB065625