1.0 2020-03-04 16:40:22 UTC 2020-04-22 15:58:03 UTC BMDB0064256 BMDB64256 DG(10:0/0:0/16:0) 1-animal fats-3-hexadecanoyl-sn-glycerol DAG(26:0) Diacylglycerol(10:0/0:0/16:0) Diacylglycerol(26:0) 1-decanoic acid-3-palmitoyl-sn-glycerol DG(10:0/0:0/16:0) Diglyceride DG(26:0) Diacylglycerol DAG(10:0/0:0/16:0) C29H56O5 484.762 484.412774903 (2R)-3-(decanoyloxy)-2-hydroxypropyl hexadecanoate (2R)-3-(decanoyloxy)-2-hydroxypropyl hexadecanoate [H][C@@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC InChI=1S/C29H56O5/c1-3-5-7-9-11-12-13-14-15-16-18-20-22-24-29(32)34-26-27(30)25-33-28(31)23-21-19-17-10-8-6-4-2/h27,30H,3-26H2,1-2H3/t27-/m1/s1 PDEODYWQITXOOH-HHHXNRCGSA-N belongs to the class of organic compounds known as 1,3-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 3. Organic compounds Lipids and lipid-like molecules Glycerolipids Diradylglycerols 1,3-diacylglycerols Carbonyl compounds Carboxylic acid esters Dicarboxylic acids and derivatives Fatty acid esters Hydrocarbon derivatives Organic oxides Secondary alcohols 1,3-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 Secondary alcohol Aliphatic acyclic compounds logp 8.77 ALOGPS logs -7.06 ALOGPS logp 9.34 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2R)-3-(decanoyloxy)-2-hydroxypropyl hexadecanoate ChemAxon average_mass 484.762 ChemAxon mono_mass 484.412774903 ChemAxon smiles [H][C@@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC ChemAxon formula C29H56O5 ChemAxon inchi InChI=1S/C29H56O5/c1-3-5-7-9-11-12-13-14-15-16-18-20-22-24-29(32)34-26-27(30)25-33-28(31)23-21-19-17-10-8-6-4-2/h27,30H,3-26H2,1-2H3/t27-/m1/s1 ChemAxon inchikey PDEODYWQITXOOH-HHHXNRCGSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 140.09 ChemAxon polarizability 63.17 ChemAxon rotatable_bond_count 28 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 49192 Specdb::CMs 167289 Specdb::MsMs 2745416 Specdb::MsMs 2745417 Specdb::MsMs 2745418 Specdb::MsMs 2936093 Specdb::MsMs 2936094 Specdb::MsMs 2936095 Specdb::NmrOneD 301465 Specdb::NmrOneD 301466 Specdb::NmrOneD 301467 Specdb::NmrOneD 301468 Specdb::NmrOneD 301469 Specdb::NmrOneD 301470 Specdb::NmrOneD 301471 Specdb::NmrOneD 301472 Specdb::NmrOneD 301473 Specdb::NmrOneD 301474 Specdb::NmrOneD 301475 Specdb::NmrOneD 301476 Specdb::NmrOneD 301477 Specdb::NmrOneD 301478 Specdb::NmrOneD 301479 Specdb::NmrOneD 301480 Specdb::NmrOneD 301481 Specdb::NmrOneD 301482 Specdb::NmrOneD 301483 Specdb::NmrOneD 301484 FDB064946 101796803