1.0 2020-03-04 16:57:54 UTC 2020-04-22 16:04:03 UTC BMDB0065204 BMDB65204 DG(18:0/0:0/16:0) 1-stearoyl-3-palmitoyl-sn-glycerol Diglyceride DAG(18:0/0:0/16:0) DG(18:0/0:0/16:0) Diacylglycerol DG(34:0) DAG(34:0) Diacylglycerol(34:0) 1-octadecanoyl-3-hexadecanoyl-sn-glycerol Diacylglycerol(18:0/0:0/16:0) C37H72O5 596.978 596.537975418 (2S)-3-(hexadecanoyloxy)-2-hydroxypropyl octadecanoate (2S)-3-(hexadecanoyloxy)-2-hydroxypropyl octadecanoate [H][C@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC InChI=1S/C37H72O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3/t35-/m0/s1 BFTGWUUHOMAGPO-DHUJRADRSA-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 10.18 ALOGPS logs -7.51 ALOGPS logp 12.89 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2S)-3-(hexadecanoyloxy)-2-hydroxypropyl octadecanoate ChemAxon average_mass 596.978 ChemAxon mono_mass 596.537975418 ChemAxon smiles [H][C@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC ChemAxon formula C37H72O5 ChemAxon inchi InChI=1S/C37H72O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3/t35-/m0/s1 ChemAxon inchikey BFTGWUUHOMAGPO-DHUJRADRSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 176.9 ChemAxon polarizability 80.24 ChemAxon rotatable_bond_count 36 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 50010 Specdb::CMs 456426 Specdb::CMs 791964 Specdb::NmrOneD 250908 Specdb::NmrOneD 250909 Specdb::NmrOneD 250910 Specdb::NmrOneD 250911 Specdb::NmrOneD 250912 Specdb::NmrOneD 250913 Specdb::NmrOneD 250914 Specdb::NmrOneD 250915 Specdb::NmrOneD 250916 Specdb::NmrOneD 250917 Specdb::NmrOneD 250918 Specdb::NmrOneD 250919 Specdb::NmrOneD 250920 Specdb::NmrOneD 250921 Specdb::NmrOneD 250922 Specdb::NmrOneD 250923 Specdb::NmrOneD 250924 Specdb::NmrOneD 250925 Specdb::NmrOneD 250926 Specdb::NmrOneD 250927 Specdb::MsMs 2450506 Specdb::MsMs 2450507 Specdb::MsMs 2450508 Specdb::MsMs 2488527 Specdb::MsMs 2488528 Specdb::MsMs 2488529 FDB065889 91865028