1.0 2020-03-04 16:52:22 UTC 2020-04-22 16:02:05 UTC BMDB0064894 BMDB64894 DG(16:0/a-13:0/0:0) 1-Hexadecanoyl-2-anteisotridecanoyl-sn-glycerol DG(16:0/A-13:0) DAG(16:0/A-13:0) Diacylglycerol(29:0) Diacylglycerol(16:0/a-13:0) DG(29:0) Diglyceride 1-Palmitoyl-2-anteisotridecanoyl-sn-glycerol DAG(29:0) Diacylglycerol DG(16:0/a-13:0/0:0) C32H62O5 526.843 526.459725096 (2S)-3-hydroxy-2-[(10-methyldodecanoyl)oxy]propyl hexadecanoate (2S)-3-hydroxy-2-[(10-methyldodecanoyl)oxy]propyl hexadecanoate [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC InChI=1S/C32H62O5/c1-4-6-7-8-9-10-11-12-13-14-15-19-22-25-31(34)36-28-30(27-33)37-32(35)26-23-20-17-16-18-21-24-29(3)5-2/h29-30,33H,4-28H2,1-3H3/t29?,30-/m0/s1 HGFVTLQNQCCDOR-ZSXSBBPPSA-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 9.42 ALOGPS logs -7.25 ALOGPS logp 10.51 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-3-hydroxy-2-[(10-methyldodecanoyl)oxy]propyl hexadecanoate ChemAxon average_mass 526.843 ChemAxon mono_mass 526.459725096 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC ChemAxon formula C32H62O5 ChemAxon inchi InChI=1S/C32H62O5/c1-4-6-7-8-9-10-11-12-13-14-15-19-22-25-31(34)36-28-30(27-33)37-32(35)26-23-20-17-16-18-21-24-29(3)5-2/h29-30,33H,4-28H2,1-3H3/t29?,30-/m0/s1 ChemAxon inchikey HGFVTLQNQCCDOR-ZSXSBBPPSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 153.84 ChemAxon polarizability 68.12 ChemAxon rotatable_bond_count 30 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 49782 Specdb::MsMs 623605 Specdb::MsMs 623606 Specdb::MsMs 623607 Specdb::MsMs 2359454 Specdb::MsMs 2359455 Specdb::MsMs 2359456 Specdb::MsMs 2605619 Specdb::MsMs 2605620 Specdb::MsMs 2605621 Specdb::MsMs 2843483 Specdb::MsMs 2843484 Specdb::MsMs 2843485 Specdb::MsMs 2845610 Specdb::MsMs 2845611 Specdb::MsMs 2845612 74858304 FDB065582 131802409