1.0 2020-03-25 15:32:22 UTC 2020-04-22 18:57:14 UTC BMDB0096296 DG(15:0/0:0/15:0) Diacylglycerol(30:0) DG(30:0) DAG(15:0/0:0/15:0) Diglyceride Diacylglycerol(15:0/0:0/15:0) 1-Pentadecanoyl-3-pentadecanoyl-sn-glycerol Diacylglycerol DAG(30:0) DG(15:0/0:0/15:0) 2-Hydroxy-3-(pentadecanoyloxy)propyl pentadecanoic acid C33H64O5 540.8583 540.475375158 2-hydroxy-3-(pentadecanoyloxy)propyl pentadecanoate 2-hydroxy-3-(pentadecanoyloxy)propyl pentadecanoate [H]C(O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC InChI=1S/C33H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(35)37-29-31(34)30-38-33(36)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31,34H,3-30H2,1-2H3 HZEBMMLXOCVJNI-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 9.61 ALOGPS logs -7.39 ALOGPS logp 11.11 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac 2-hydroxy-3-(pentadecanoyloxy)propyl pentadecanoate ChemAxon average_mass 540.8583 ChemAxon mono_mass 540.475375158 ChemAxon smiles [H]C(O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC ChemAxon formula C33H64O5 ChemAxon inchi InChI=1S/C33H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(35)37-29-31(34)30-38-33(36)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31,34H,3-30H2,1-2H3 ChemAxon inchikey HZEBMMLXOCVJNI-UHFFFAOYSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 158.5 ChemAxon polarizability 71.66 ChemAxon rotatable_bond_count 32 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 47703 Specdb::CMs 220487 Specdb::CMs 265275 Specdb::CMs 281343 Specdb::NmrOneD 324112 Specdb::NmrOneD 324113 Specdb::NmrOneD 324114 Specdb::NmrOneD 324115 Specdb::NmrOneD 324116 Specdb::NmrOneD 324117 Specdb::NmrOneD 324118 Specdb::NmrOneD 324119 Specdb::NmrOneD 324120 Specdb::NmrOneD 324121 Specdb::NmrOneD 324122 Specdb::NmrOneD 324123 Specdb::NmrOneD 324124 Specdb::NmrOneD 324125 Specdb::NmrOneD 324126 Specdb::NmrOneD 324127 Specdb::NmrOneD 324128 Specdb::NmrOneD 324129 Specdb::NmrOneD 324130 Specdb::NmrOneD 324131 Specdb::MsMs 3051278 Specdb::MsMs 3051279 Specdb::MsMs 3051280 Specdb::MsMs 3119572 Specdb::MsMs 3119573 Specdb::MsMs 3119574 4168728