1.0 2020-03-04 17:01:18 UTC 2020-04-22 16:05:15 UTC BMDB0065394 BMDB65394 DG(i-20:0/10:0/0:0) 1-isoeicosanoyl-2-decanoyl-sn-glycerol DG(i-20:0/10:0) DG(30:0) Dag(i-20:0/10:0) Dag(30:0) Diacylglycerol(i-20:0/10:0) Diacylglycerol(30:0) Diacylglycerol Diglyceride DG(i-20:0/10:0/0:0) 1-isoeicosanoyl-2-animal fats-sn-glycerol 1-isoeicosanoyl-2-decanoic acid-sn-glycerol (2S)-2-(Decanoyloxy)-3-hydroxypropyl 18-methylnonadecanoic acid C33H64O5 540.87 540.475375161 (2S)-2-(decanoyloxy)-3-hydroxypropyl 18-methylnonadecanoate (2S)-2-(decanoyloxy)-3-hydroxypropyl 18-methylnonadecanoate [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC InChI=1S/C33H64O5/c1-4-5-6-7-16-21-24-27-33(36)38-31(28-34)29-37-32(35)26-23-20-18-15-13-11-9-8-10-12-14-17-19-22-25-30(2)3/h30-31,34H,4-29H2,1-3H3/t31-/m0/s1 VSRQLCZZFYMZIO-HKBQPEDESA-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 9.47 ALOGPS logs -7.33 ALOGPS logp 10.96 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-2-(decanoyloxy)-3-hydroxypropyl 18-methylnonadecanoate ChemAxon average_mass 540.87 ChemAxon mono_mass 540.475375161 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC ChemAxon formula C33H64O5 ChemAxon inchi InChI=1S/C33H64O5/c1-4-5-6-7-16-21-24-27-33(36)38-31(28-34)29-37-32(35)26-23-20-18-15-13-11-9-8-10-12-14-17-19-22-25-30(2)3/h30-31,34H,4-29H2,1-3H3/t31-/m0/s1 ChemAxon inchikey VSRQLCZZFYMZIO-HKBQPEDESA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 158.44 ChemAxon polarizability 70.59 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 50109 Specdb::CMs 265371 Specdb::CMs 281437 Specdb::MsMs 658486 Specdb::MsMs 658487 Specdb::MsMs 658488 Specdb::MsMs 2417839 Specdb::MsMs 2417840 Specdb::MsMs 2417841 Specdb::MsMs 2823584 Specdb::MsMs 2823585 Specdb::MsMs 2823586 Specdb::MsMs 3037310 Specdb::MsMs 3037311 Specdb::MsMs 3037312 Specdb::MsMs 3107021 Specdb::MsMs 3107022 Specdb::MsMs 3107023 FDB066079 74858541 131802643