1.0 2020-03-04 17:06:19 UTC 2020-04-22 16:07:06 UTC BMDB0065685 BMDB65685 DG(i-22:0/10:0/0:0) 1-isodocosanoyl-2-decanoyl-sn-glycerol DG(i-22:0/10:0) DG(32:0) Dag(i-22:0/10:0) Dag(32:0) Diacylglycerol(i-22:0/10:0) Diacylglycerol(32:0) Diacylglycerol Diglyceride DG(i-22:0/10:0/0:0) 1-isodocosanoyl-2-animal fats-sn-glycerol 1-isodocosanoyl-2-decanoic acid-sn-glycerol (2S)-2-(Decanoyloxy)-3-hydroxypropyl 20-methylhenicosanoic acid C35H68O5 568.924 568.50667529 (2S)-2-(decanoyloxy)-3-hydroxypropyl 20-methylhenicosanoate (2S)-2-(decanoyloxy)-3-hydroxypropyl 20-methylhenicosanoate [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC InChI=1S/C35H68O5/c1-4-5-6-7-18-23-26-29-35(38)40-33(30-36)31-39-34(37)28-25-22-20-17-15-13-11-9-8-10-12-14-16-19-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m0/s1 ZQEYUCFRMMQVOW-XIFFEERXSA-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 9.81 ALOGPS logs -7.43 ALOGPS logp 11.85 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-2-(decanoyloxy)-3-hydroxypropyl 20-methylhenicosanoate ChemAxon average_mass 568.924 ChemAxon mono_mass 568.50667529 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC ChemAxon formula C35H68O5 ChemAxon inchi InChI=1S/C35H68O5/c1-4-5-6-7-18-23-26-29-35(38)40-33(30-36)31-39-34(37)28-25-22-20-17-15-13-11-9-8-10-12-14-16-19-21-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m0/s1 ChemAxon inchikey ZQEYUCFRMMQVOW-XIFFEERXSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 167.65 ChemAxon polarizability 74.94 ChemAxon rotatable_bond_count 33 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 50234 Specdb::CMs 282331 Specdb::CMs 366003 Specdb::MsMs 634552 Specdb::MsMs 634553 Specdb::MsMs 634554 Specdb::MsMs 2519693 Specdb::MsMs 2519694 Specdb::MsMs 2519695 Specdb::MsMs 2824348 Specdb::MsMs 2824349 Specdb::MsMs 2824350 Specdb::MsMs 2855179 Specdb::MsMs 2855180 Specdb::MsMs 2855181 Specdb::MsMs 2868828 Specdb::MsMs 2868829 Specdb::MsMs 2868830 FDB066371 74858684 131802786 170272