1.0 2020-03-04 16:49:48 UTC 2020-04-22 16:01:13 UTC BMDB0064756 BMDB64756 DG(i-15:0/a-15:0/0:0) 1-Isopentadecanoyl-2-anteisopentadecanoyl-sn-glycerol DAG(30:0) Diacylglycerol(30:0) Diacylglycerol(i-15:0/a-15:0) Diglyceride DG(30:0) DG(I-15:0/A-15:0) Diacylglycerol DAG(I-15:0/A-15:0) DG(i-15:0/a-15:0/0:0) C33H64O5 540.87 540.475375161 (2S)-1-hydroxy-3-[(13-methyltetradecanoyl)oxy]propan-2-yl 12-methyltetradecanoate (2S)-1-hydroxy-3-[(13-methyltetradecanoyl)oxy]propan-2-yl 12-methyltetradecanoate [H][C@](CO)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC InChI=1S/C33H64O5/c1-5-30(4)24-20-16-12-9-10-14-18-22-26-33(36)38-31(27-34)28-37-32(35)25-21-17-13-8-6-7-11-15-19-23-29(2)3/h29-31,34H,5-28H2,1-4H3/t30?,31-/m0/s1 UPNVDCROPDYEOV-FLDQDSGZSA-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 9.29 ALOGPS logs -7.35 ALOGPS logp 10.8 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-1-hydroxy-3-[(13-methyltetradecanoyl)oxy]propan-2-yl 12-methyltetradecanoate ChemAxon average_mass 540.87 ChemAxon mono_mass 540.475375161 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC ChemAxon formula C33H64O5 ChemAxon inchi InChI=1S/C33H64O5/c1-5-30(4)24-20-16-12-9-10-14-18-22-26-33(36)38-31(27-34)28-37-32(35)25-21-17-13-8-6-7-11-15-19-23-29(2)3/h29-31,34H,5-28H2,1-4H3/t30?,31-/m0/s1 ChemAxon inchikey UPNVDCROPDYEOV-FLDQDSGZSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 158.39 ChemAxon polarizability 69.98 ChemAxon rotatable_bond_count 30 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 49666 Specdb::CMs 265324 Specdb::CMs 281390 Specdb::MsMs 669589 Specdb::MsMs 669590 Specdb::MsMs 669591 Specdb::MsMs 2443621 Specdb::MsMs 2443622 Specdb::MsMs 2443623 Specdb::MsMs 2522004 Specdb::MsMs 2522005 Specdb::MsMs 2522006 Specdb::MsMs 2538302 Specdb::MsMs 2538303 Specdb::MsMs 2538304 Specdb::MsMs 2720826 Specdb::MsMs 2720827 Specdb::MsMs 2720828 74858238 FDB065445 131802346