1.0 2020-03-04 16:43:10 UTC 2020-04-22 15:59:04 UTC BMDB0064416 BMDB64416 DG(a-13:0/0:0/8:0) 1-Anteisotridecanoyl-3-capryloyl-sn-glycerol Diglyceride DAG(A-13:0/0:0/8:0) DG(21:0) Diacylglycerol(a-13:0/0:0/8:0) Diacylglycerol 1-Anteisotridecanoyl-3-octanoyl-sn-glycerol Diacylglycerol(21:0) DAG(21:0) DG(a-13:0/0:0/8:0) C24H46O5 414.627 414.334524581 (2S)-2-hydroxy-3-(octanoyloxy)propyl 10-methyldodecanoate (2S)-2-hydroxy-3-(octanoyloxy)propyl 10-methyldodecanoate [H][C@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCC(C)CC InChI=1S/C24H46O5/c1-4-6-7-10-14-17-23(26)28-19-22(25)20-29-24(27)18-15-12-9-8-11-13-16-21(3)5-2/h21-22,25H,4-20H2,1-3H3/t21?,22-/m0/s1 FNYLJHXCRFTDNS-KEKNWZKVSA-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 7.13 ALOGPS logs -5.95 ALOGPS logp 6.96 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2S)-2-hydroxy-3-(octanoyloxy)propyl 10-methyldodecanoate ChemAxon average_mass 414.627 ChemAxon mono_mass 414.334524581 ChemAxon smiles [H][C@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCC(C)CC ChemAxon formula C24H46O5 ChemAxon inchi InChI=1S/C24H46O5/c1-4-6-7-10-14-17-23(26)28-19-22(25)20-29-24(27)18-15-12-9-8-11-13-16-21(3)5-2/h21-22,25H,4-20H2,1-3H3/t21?,22-/m0/s1 ChemAxon inchikey FNYLJHXCRFTDNS-KEKNWZKVSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 117.04 ChemAxon polarizability 52.09 ChemAxon rotatable_bond_count 22 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 49347 Specdb::CMs 136270 Specdb::CMs 144004 Specdb::MsMs 2672708 Specdb::MsMs 2672709 Specdb::MsMs 2672710 Specdb::MsMs 3032456 Specdb::MsMs 3032457 Specdb::MsMs 3032458 59694824 131799244 FDB065105