1.0 2020-03-04 17:00:02 UTC 2020-04-22 16:04:49 UTC BMDB0065324 BMDB65324 DG(19:0/0:0/i-16:0) 1-Nonadecanoyl-3-isohexadecanoyl-sn-glycerol Diacylglycerol(35:0) DAG(35:0) Diacylglycerol(19:0/0:0/i-16:0) Diglyceride DG(35:0) Diacylglycerol DAG(19:0/0:0/I-16:0) DG(19:0/0:0/i-16:0) C38H74O5 611.005 610.553625483 (2R)-2-hydroxy-3-[(14-methylpentadecanoyl)oxy]propyl nonadecanoate (2R)-2-hydroxy-3-[(14-methylpentadecanoyl)oxy]propyl nonadecanoate [H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C InChI=1S/C38H74O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25-28-31-37(40)42-33-36(39)34-43-38(41)32-29-26-23-20-17-16-18-21-24-27-30-35(2)3/h35-36,39H,4-34H2,1-3H3/t36-/m1/s1 KXJDHBVKQPWYER-PSXMRANNSA-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 10.18 ALOGPS logs -7.51 ALOGPS logp 13.18 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2R)-2-hydroxy-3-[(14-methylpentadecanoyl)oxy]propyl nonadecanoate ChemAxon average_mass 611.005 ChemAxon mono_mass 610.553625483 ChemAxon smiles [H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C ChemAxon formula C38H74O5 ChemAxon inchi InChI=1S/C38H74O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25-28-31-37(40)42-33-36(39)34-43-38(41)32-29-26-23-20-17-16-18-21-24-27-30-35(2)3/h35-36,39H,4-34H2,1-3H3/t36-/m1/s1 ChemAxon inchikey KXJDHBVKQPWYER-PSXMRANNSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 181.45 ChemAxon polarizability 82.05 ChemAxon rotatable_bond_count 36 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::MsMs 3053876 Specdb::MsMs 3053877 Specdb::MsMs 3053878 Specdb::MsMs 3116757 Specdb::MsMs 3116758 Specdb::MsMs 3116759 Specdb::CMs 50090 Specdb::CMs 516368 Specdb::CMs 792469 59692740 131799982 FDB066008