1.0 2020-03-04 16:50:06 UTC 2020-04-22 16:01:20 UTC BMDB0064774 BMDB64774 DG(i-15:0/i-16:0/0:0) 1-Isopentadecanoyl-2-isohexadecanoyl-sn-glycerol DG(I-15:0/I-16:0) Diacylglycerol(31:0) DAG(31:0) Diglyceride DAG(I-15:0/I-16:0) DG(31:0) Diacylglycerol Diacylglycerol(i-15:0/i-16:0) DG(i-15:0/i-16:0/0:0) C34H66O5 554.897 554.491025225 (2S)-1-hydroxy-3-[(13-methyltetradecanoyl)oxy]propan-2-yl 14-methylpentadecanoate (2S)-1-hydroxy-3-[(13-methyltetradecanoyl)oxy]propan-2-yl 14-methylpentadecanoate [H][C@](CO)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C InChI=1S/C34H66O5/c1-30(2)24-20-16-12-8-5-6-10-15-19-23-27-34(37)39-32(28-35)29-38-33(36)26-22-18-14-11-7-9-13-17-21-25-31(3)4/h30-32,35H,5-29H2,1-4H3/t32-/m0/s1 ORSUFHUGGRIZLY-YTTGMZPUSA-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 9.36 ALOGPS logs -7.41 ALOGPS logp 11.24 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-1-hydroxy-3-[(13-methyltetradecanoyl)oxy]propan-2-yl 14-methylpentadecanoate ChemAxon average_mass 554.897 ChemAxon mono_mass 554.491025225 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C ChemAxon formula C34H66O5 ChemAxon inchi InChI=1S/C34H66O5/c1-30(2)24-20-16-12-8-5-6-10-15-19-23-27-34(37)39-32(28-35)29-38-33(36)26-22-18-14-11-7-9-13-17-21-25-31(3)4/h30-32,35H,5-29H2,1-4H3/t32-/m0/s1 ChemAxon inchikey ORSUFHUGGRIZLY-YTTGMZPUSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 162.99 ChemAxon polarizability 72.26 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::CMs 49684 Specdb::CMs 281875 Specdb::CMs 339787 Specdb::MsMs 641443 Specdb::MsMs 641444 Specdb::MsMs 641445 Specdb::MsMs 2339841 Specdb::MsMs 2339842 Specdb::MsMs 2339843 Specdb::MsMs 2416357 Specdb::MsMs 2416358 Specdb::MsMs 2416359 Specdb::MsMs 2618147 Specdb::MsMs 2618148 Specdb::MsMs 2618149 Specdb::MsMs 2626529 Specdb::MsMs 2626530 Specdb::MsMs 2626531 74858247 FDB065463 131802355