1.0 2016-10-03 18:13:35 UTC 2020-04-22 15:42:55 UTC BMDB0011146 BMDB11146 DG(16:0e/18:0/0:0) 2-Octadecanoyl-1-hexadecyl-sn-glycerol (2S)-1-(Hexadecyloxy)-3-hydroxypropan-2-yl octadecanoic acid DG(O-16:0/18:0/0:0) C37H74O4 582.9811 582.558710856 (2S)-1-(hexadecyloxy)-3-hydroxypropan-2-yl octadecanoate (2S)-1-(hexadecyloxy)-3-hydroxypropan-2-yl octadecanoate [H][C@](CO)(COCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC InChI=1S/C37H74O4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-37(39)41-36(34-38)35-40-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h36,38H,3-35H2,1-2H3/t36-/m0/s1 ALBMTLREXAADKV-BHVANESWSA-N belongs to the class of organic compounds known as 1-alkyl,2-acylglycerols. These are glycerides consisting of two fatty acyl chains covalently bonded to a glycerol molecule at the 1- and 2-positions through an ether and an ester linkage, respectively. Organic compounds Lipids and lipid-like molecules Glycerolipids Diradylglycerols 1-alkyl,2-acylglycerols Carbonyl compounds Carboxylic acid esters Dialkyl ethers Fatty acid esters Glycerol ethers Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Primary alcohols 1-alkyl,2-acylglycerol Alcohol Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Ether Fatty acid ester Fatty acyl Glycerol ether Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol Aliphatic acyclic compounds Solid logp 10.43 ALOGPS logs -7.57 ALOGPS logp 13.27 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-1-(hexadecyloxy)-3-hydroxypropan-2-yl octadecanoate ChemAxon average_mass 582.9811 ChemAxon mono_mass 582.558710856 ChemAxon smiles [H][C@](CO)(COCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC ChemAxon formula C37H74O4 ChemAxon inchi InChI=1S/C37H74O4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-37(39)41-36(34-38)35-40-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h36,38H,3-35H2,1-2H3/t36-/m0/s1 ChemAxon inchikey ALBMTLREXAADKV-BHVANESWSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 177.15 ChemAxon polarizability 79.55 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::MsMs 2335381 Specdb::MsMs 2335382 Specdb::MsMs 2335383 Specdb::MsMs 2626955 Specdb::MsMs 2626956 Specdb::MsMs 2626957 Specdb::CMs 39563 Specdb::CMs 282719 Specdb::CMs 405077 18558308 18603089 FDB027921