1.0 2020-03-04 16:41:26 UTC 2020-04-22 15:58:26 UTC BMDB0064315 BMDB64315 DG(12:0/i-13:0/0:0) 1-Dodecanoyl-2-isotridecanoyl-sn-glycerol DG(25:0) DAG(25:0) DAG(12:0/I-13:0) Diacylglycerol(25:0) Diglyceride Diacylglycerol(12:0/i-13:0) Diacylglycerol DG(12:0/I-13:0) DG(12:0/i-13:0/0:0) C28H54O5 470.735 470.397124839 (2S)-1-(dodecanoyloxy)-3-hydroxypropan-2-yl 11-methyldodecanoate (2S)-1-(dodecanoyloxy)-3-hydroxypropan-2-yl 11-methyldodecanoate [H][C@](CO)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C InChI=1S/C28H54O5/c1-4-5-6-7-8-9-12-15-18-21-27(30)32-24-26(23-29)33-28(31)22-19-16-13-10-11-14-17-20-25(2)3/h25-26,29H,4-24H2,1-3H3/t26-/m0/s1 PYRTVXUKMMIKJC-SANMLTNESA-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 8.32 ALOGPS logs -6.82 ALOGPS logp 8.73 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-1-(dodecanoyloxy)-3-hydroxypropan-2-yl 11-methyldodecanoate ChemAxon average_mass 470.735 ChemAxon mono_mass 470.397124839 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C ChemAxon formula C28H54O5 ChemAxon inchi InChI=1S/C28H54O5/c1-4-5-6-7-8-9-12-15-18-21-27(30)32-24-26(23-29)33-28(31)22-19-16-13-10-11-14-17-20-25(2)3/h25-26,29H,4-24H2,1-3H3/t26-/m0/s1 ChemAxon inchikey PYRTVXUKMMIKJC-SANMLTNESA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 135.44 ChemAxon polarizability 59.68 ChemAxon rotatable_bond_count 26 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 49251 Specdb::CMs 170662 Specdb::MsMs 608686 Specdb::MsMs 608687 Specdb::MsMs 608688 Specdb::MsMs 2616705 Specdb::MsMs 2616706 Specdb::MsMs 2616707 Specdb::MsMs 2744202 Specdb::MsMs 2744203 Specdb::MsMs 2744204 Specdb::MsMs 2934827 Specdb::MsMs 2934828 Specdb::MsMs 2934829 Specdb::MsMs 3044125 Specdb::MsMs 3044126 Specdb::MsMs 3044127 74858023 FDB065005 131802146