1.0 2020-03-04 16:47:50 UTC 2020-04-22 16:00:32 UTC BMDB0064648 BMDB64648 DG(i-14:0/0:0/i-17:0) 1-Isotetradecanoyl-3-isoheptadecanoyl-sn-glycerol Diglyceride DAG(I-14:0/0:0/I-17:0) Diacylglycerol(31:0) DAG(31:0) Diacylglycerol(i-14:0/0:0/i-17:0) DG(31:0) Diacylglycerol DG(i-14:0/0:0/i-17:0) C34H66O5 554.897 554.491025225 (2S)-2-hydroxy-3-[(12-methyltridecanoyl)oxy]propyl 15-methylhexadecanoate (2S)-2-hydroxy-3-[(12-methyltridecanoyl)oxy]propyl 15-methylhexadecanoate [H][C@](O)(COC(=O)CCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)C InChI=1S/C34H66O5/c1-30(2)24-20-16-12-8-6-5-7-9-14-18-22-26-33(36)38-28-32(35)29-39-34(37)27-23-19-15-11-10-13-17-21-25-31(3)4/h30-32,35H,5-29H2,1-4H3/t32-/m0/s1 SWTXTEWZVJTFQG-YTTGMZPUSA-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 9.42 ALOGPS logs -7.38 ALOGPS logp 11.24 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2S)-2-hydroxy-3-[(12-methyltridecanoyl)oxy]propyl 15-methylhexadecanoate ChemAxon average_mass 554.897 ChemAxon mono_mass 554.491025225 ChemAxon smiles [H][C@](O)(COC(=O)CCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)C ChemAxon formula C34H66O5 ChemAxon inchi InChI=1S/C34H66O5/c1-30(2)24-20-16-12-8-6-5-7-9-14-18-22-26-33(36)38-28-32(35)29-39-34(37)27-23-19-15-11-10-13-17-21-25-31(3)4/h30-32,35H,5-29H2,1-4H3/t32-/m0/s1 ChemAxon inchikey SWTXTEWZVJTFQG-YTTGMZPUSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 162.99 ChemAxon polarizability 73.3 ChemAxon rotatable_bond_count 31 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 2384984 Specdb::MsMs 2384985 Specdb::MsMs 2384986 Specdb::MsMs 2577591 Specdb::MsMs 2577592 Specdb::MsMs 2577593 Specdb::CMs 49566 Specdb::CMs 281864 Specdb::CMs 339776 59692828 131800070 FDB065337