1.0 2020-03-04 16:40:50 UTC 2020-04-22 15:58:13 UTC BMDB0064283 BMDB64283 DG(10:0/22:0/0:0) 1-Animal fats-2-docosanoyl-sn-glycerol 1-Decanoic acid-2-behenoyl-sn-glycerol Diacylglycerol(10:0/22:0) DAG(32:0) DAG(10:0/22:0) Diglyceride DG(32:0) Diacylglycerol DG(10:0/22:0) Diacylglycerol(32:0) (2S)-1-(Decanoyloxy)-3-hydroxypropan-2-yl docosanoic acid DG(10:0/22:0/0:0) C35H68O5 568.924 568.50667529 (2S)-1-(decanoyloxy)-3-hydroxypropan-2-yl docosanoate (2S)-1-(decanoyloxy)-3-hydroxypropan-2-yl docosanoate [H][C@](CO)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC InChI=1S/C35H68O5/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28-30-35(38)40-33(31-36)32-39-34(37)29-27-25-23-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m0/s1 LILCXMJACQHTHI-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 9.95 ALOGPS logs -7.46 ALOGPS logp 12 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-1-(decanoyloxy)-3-hydroxypropan-2-yl docosanoate ChemAxon average_mass 568.924 ChemAxon mono_mass 568.50667529 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC ChemAxon formula C35H68O5 ChemAxon inchi InChI=1S/C35H68O5/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28-30-35(38)40-33(31-36)32-39-34(37)29-27-25-23-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m0/s1 ChemAxon inchikey LILCXMJACQHTHI-XIFFEERXSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 167.7 ChemAxon polarizability 75.16 ChemAxon rotatable_bond_count 34 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 49219 Specdb::CMs 282232 Specdb::CMs 365904 Specdb::MsMs 623113 Specdb::MsMs 623114 Specdb::MsMs 623115 Specdb::MsMs 2610494 Specdb::MsMs 2610495 Specdb::MsMs 2610496 Specdb::MsMs 2759309 Specdb::MsMs 2759310 Specdb::MsMs 2759311 Specdb::MsMs 2933022 Specdb::MsMs 2933023 Specdb::MsMs 2933024 Specdb::MsMs 2949822 Specdb::MsMs 2949823 Specdb::MsMs 2949824 74858009 131802132 FDB064973