1.0 2020-03-04 16:41:22 UTC 2020-04-22 15:58:24 UTC BMDB0064311 BMDB64311 DG(i-12:0/a-13:0/0:0) 1-Isododecanoyl-2-anteisotridecanoyl-sn-glycerol DG(I-12:0/A-13:0) DAG(25:0) DG(25:0) Diacylglycerol(25:0) DAG(I-12:0/A-13:0) Diglyceride Diacylglycerol(i-12:0/a-13:0) Diacylglycerol DG(i-12:0/a-13:0/0:0) C28H54O5 470.735 470.397124839 (2S)-1-hydroxy-3-[(10-methylundecanoyl)oxy]propan-2-yl 10-methyldodecanoate (2S)-1-hydroxy-3-[(10-methylundecanoyl)oxy]propan-2-yl 10-methyldodecanoate [H][C@](CO)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC InChI=1S/C28H54O5/c1-5-25(4)19-15-11-7-9-13-17-21-28(31)33-26(22-29)23-32-27(30)20-16-12-8-6-10-14-18-24(2)3/h24-26,29H,5-23H2,1-4H3/t25?,26-/m0/s1 YBDAJCULJCYKED-AMVUTOCUSA-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 8.01 ALOGPS logs -6.75 ALOGPS logp 8.58 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-1-hydroxy-3-[(10-methylundecanoyl)oxy]propan-2-yl 10-methyldodecanoate ChemAxon average_mass 470.735 ChemAxon mono_mass 470.397124839 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC ChemAxon formula C28H54O5 ChemAxon inchi InChI=1S/C28H54O5/c1-5-25(4)19-15-11-7-9-13-17-21-28(31)33-26(22-29)23-32-27(30)20-16-12-8-6-10-14-18-24(2)3/h24-26,29H,5-23H2,1-4H3/t25?,26-/m0/s1 ChemAxon inchikey YBDAJCULJCYKED-AMVUTOCUSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 135.39 ChemAxon polarizability 59.38 ChemAxon rotatable_bond_count 25 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 49247 Specdb::CMs 133788 Specdb::CMs 141522 Specdb::MsMs 674545 Specdb::MsMs 674546 Specdb::MsMs 674547 Specdb::MsMs 2400522 Specdb::MsMs 2400523 Specdb::MsMs 2400524 Specdb::MsMs 2459881 Specdb::MsMs 2459882 Specdb::MsMs 2459883 Specdb::MsMs 2476226 Specdb::MsMs 2476227 Specdb::MsMs 2476228 Specdb::MsMs 2708318 Specdb::MsMs 2708319 Specdb::MsMs 2708320 74858021 FDB065001 131802144