1.0 2020-03-04 16:40:00 UTC 2020-04-22 15:57:55 UTC BMDB0064234 BMDB64234 DG(10:0/0:0/10:0) 1-animal fats-3-animal fats-sn-glycerol DAG(20:0) DG(20:0) 1-decanoic acid-3-decanoic acid-sn-glycerol Diacylglycerol(20:0) Diacylglycerol(10:0/0:0/10:0) Diglyceride Diacylglycerol DAG(10:0/0:0/10:0) DG(10:0/0:0/10:0) 1,3-Didecanoyl glycerol 1,3-Dicaprin 1,3-Didecanoylglycerol Glycerol 1,3-dicaprinate C23H44O5 400.6 400.318874517 3-(decanoyloxy)-2-hydroxypropyl decanoate 3-(decanoyloxy)-2-hydroxypropyl decanoate [H]C(O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC InChI=1S/C23H44O5/c1-3-5-7-9-11-13-15-17-22(25)27-19-21(24)20-28-23(26)18-16-14-12-10-8-6-4-2/h21,24H,3-20H2,1-2H3 BPYWNJQNVNYQSQ-UHFFFAOYSA-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 6.70 ALOGPS logs -5.81 ALOGPS logp 6.67 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac 3-(decanoyloxy)-2-hydroxypropyl decanoate ChemAxon average_mass 400.6 ChemAxon mono_mass 400.318874517 ChemAxon smiles [H]C(O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC ChemAxon formula C23H44O5 ChemAxon inchi InChI=1S/C23H44O5/c1-3-5-7-9-11-13-15-17-22(25)27-19-21(24)20-28-23(26)18-16-14-12-10-8-6-4-2/h21,24H,3-20H2,1-2H3 ChemAxon inchikey BPYWNJQNVNYQSQ-UHFFFAOYSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 112.49 ChemAxon polarizability 50.42 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::MsMs 2720475 Specdb::MsMs 2720476 Specdb::MsMs 2720477 Specdb::MsMs 2958111 Specdb::MsMs 2958112 Specdb::MsMs 2958113 Specdb::CMs 49170 Specdb::CMs 150473 Specdb::NmrOneD 316641 Specdb::NmrOneD 316642 Specdb::NmrOneD 316643 Specdb::NmrOneD 316644 Specdb::NmrOneD 316645 Specdb::NmrOneD 316646 Specdb::NmrOneD 316647 Specdb::NmrOneD 316648 Specdb::NmrOneD 316649 Specdb::NmrOneD 316650 Specdb::NmrOneD 316651 Specdb::NmrOneD 316652 Specdb::NmrOneD 316653 Specdb::NmrOneD 316654 Specdb::NmrOneD 316655 Specdb::NmrOneD 316656 Specdb::NmrOneD 316657 Specdb::NmrOneD 316658 Specdb::NmrOneD 316659 Specdb::NmrOneD 316660 FDB064924 104665