1.0 2020-04-03 06:22:37 UTC 2020-04-03 06:22:38 UTC FDB097600 DG(O-16:0/20:4(8E,11E,14E,17E)/0:0) C39H70O4 602.985 602.527410734 (2R)-1-(hexadecyloxy)-3-hydroxypropan-2-yl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate (2R)-1-(hexadecyloxy)-3-hydroxypropan-2-yl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate [H][C@@](CO)(COCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C39H70O4/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-39(41)43-38(36-40)37-42-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,38,40H,3-4,6,8-10,12,14-16,18,20,23-37H2,1-2H3/b7-5-,13-11-,19-17-,22-21-/t38-/m1/s1 ZOQPRIBCWWPWEH-SCBZKDMTSA-N belongs to the class of organic compounds known as 1-alkyl,2-acylglycerols. These are glycerides consisting of two fatty acyl chains covalently bonded to a glycerol molecule at the 1- and 2-positions through an ether and an ester linkage, respectively. 1-alkyl,2-acylglycerols Organic compounds Lipids and lipid-like molecules Glycerolipids Diradylglycerols Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Dialkyl ethers Fatty acid esters Glycerol ethers Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Primary alcohols 1-alkyl,2-acylglycerol Alcohol Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Ether Fatty acid ester Fatty acyl Glycerol ether Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol logp 10.28 ALOGPS logs -7.57 ALOGPS solubility 1.62e-05 g/l ALOGPS logp 12.71 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2R)-1-(hexadecyloxy)-3-hydroxypropan-2-yl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate ChemAxon average_mass 602.985 ChemAxon mono_mass 602.527410734 ChemAxon smiles [H][C@@](CO)(COCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C39H70O4 ChemAxon inchi InChI=1S/C39H70O4/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-39(41)43-38(36-40)37-42-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,38,40H,3-4,6,8-10,12,14-16,18,20,23-37H2,1-2H3/b7-5-,13-11-,19-17-,22-21-/t38-/m1/s1 ChemAxon inchikey ZOQPRIBCWWPWEH-SCBZKDMTSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 190.81 ChemAxon polarizability 79.23 ChemAxon rotatable_bond_count 34 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1220110 Specdb::MsMs 1220111 Specdb::MsMs 1220112 Specdb::MsMs 1335802 Specdb::MsMs 1335803 Specdb::MsMs 1335804 Milk (Cow) Type 2 specific 972.14 3094.0 0.7 uM