1.0 2020-04-03 14:25:56 UTC 2020-04-03 14:25:57 UTC FDB097907 DG(12:0/20:1(11Z)/0:0)[iso2] C35H66O5 566.908 566.491025225 (2R)-1-(dodecanoyloxy)-3-hydroxypropan-2-yl (11Z)-icos-11-enoate (2R)-1-(dodecanoyloxy)-3-hydroxypropan-2-yl (11Z)-icos-11-enoate [H][C@@](CO)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC InChI=1S/C35H66O5/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-35(38)40-33(31-36)32-39-34(37)29-27-25-23-21-12-10-8-6-4-2/h15-16,33,36H,3-14,17-32H2,1-2H3/b16-15-/t33-/m1/s1 FWHSISWHFVYSNM-ILGKRYBBSA-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. 1,2-diacylglycerols Organic compounds Lipids and lipid-like molecules Glycerolipids Diradylglycerols Aliphatic acyclic compounds 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 logp 9.82 ALOGPS logs -7.46 ALOGPS solubility 1.97e-05 g/l ALOGPS logp 11.64 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2R)-1-(dodecanoyloxy)-3-hydroxypropan-2-yl (11Z)-icos-11-enoate ChemAxon average_mass 566.908 ChemAxon mono_mass 566.491025225 ChemAxon smiles [H][C@@](CO)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C35H66O5 ChemAxon inchi InChI=1S/C35H66O5/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-35(38)40-33(31-36)32-39-34(37)29-27-25-23-21-12-10-8-6-4-2/h15-16,33,36H,3-14,17-32H2,1-2H3/b16-15-/t33-/m1/s1 ChemAxon inchikey FWHSISWHFVYSNM-ILGKRYBBSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 168.82 ChemAxon polarizability 74.4 ChemAxon rotatable_bond_count 33 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 183485 Specdb::NmrOneD 282119 Specdb::NmrOneD 282120 Specdb::NmrOneD 282121 Specdb::NmrOneD 282122 Specdb::NmrOneD 282123 Specdb::NmrOneD 282124 Specdb::NmrOneD 282125 Specdb::NmrOneD 282126 Specdb::NmrOneD 282127 Specdb::NmrOneD 282128 Specdb::NmrOneD 282129 Specdb::NmrOneD 282130 Specdb::NmrOneD 282131 Specdb::NmrOneD 282132 Specdb::NmrOneD 282133 Specdb::NmrOneD 282134 Specdb::NmrOneD 282135 Specdb::NmrOneD 282136 Specdb::NmrOneD 282137 Specdb::NmrOneD 282138 Specdb::CMs 1089817 Milk (Cow) Type 2 specific 13.25 20.7 3.5 uM