1.0 2010-04-08 22:05:40 UTC 2018-05-28 23:10:53 UTC FDB003142 Glycerol 1-(9Z-octadecenoate) 2-tetradecanoate 3-phosphate Surfactants, used as food emulsifiers. [CCD]. C35H67O8P 646.8754 646.457355632 {3-[(9E)-octadec-9-enoyloxy]-2-(tetradecanoyloxy)propoxy}phosphonic acid 3-[(9E)-octadec-9-enoyloxy]-2-(tetradecanoyloxy)propoxyphosphonic acid CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C\CCCCCCCC)COP(O)(O)=O InChI=1S/C35H67O8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-19-14-12-10-8-6-4-2/h16-17,33H,3-15,18-32H2,1-2H3,(H2,38,39,40)/b17-16+ SOEWBJRWWSGRKM-WUKNDPDISA-N belongs to the class of organic compounds known as 1,2-diacylglycerol-3-phosphates. These are glycerol-3-phosphates in which the glycerol moiety is bonded to two aliphatic chains through ester linkages. 1,2-diacylglycerol-3-phosphates Organic compounds Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Dicarboxylic acids and derivatives Fatty acid esters Hydrocarbon derivatives Monoalkyl phosphates Organic oxides 1,2-diacylglycerol-3-phosphate Aliphatic acyclic compound Alkyl phosphate Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Fatty acid ester Fatty acyl Hydrocarbon derivative Monoalkyl phosphate Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organooxygen compound Phosphoric acid ester logp 8.55 ALOGPS logs -6.82 ALOGPS solubility 9.87e-05 g/l ALOGPS logp 11.52 ChemAxon pka_strongest_acidic 1.32 ChemAxon pka_strongest_basic -6.7 ChemAxon iupac {3-[(9E)-octadec-9-enoyloxy]-2-(tetradecanoyloxy)propoxy}phosphonic acid ChemAxon average_mass 646.8754 ChemAxon mono_mass 646.457355632 ChemAxon smiles CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C\CCCCCCCC)COP(O)(O)=O ChemAxon formula C35H67O8P ChemAxon inchi InChI=1S/C35H67O8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-19-14-12-10-8-6-4-2/h16-17,33H,3-15,18-32H2,1-2H3,(H2,38,39,40)/b17-16+ ChemAxon inchikey SOEWBJRWWSGRKM-WUKNDPDISA-N ChemAxon polar_surface_area 119.36 ChemAxon refractivity 179.69 ChemAxon polarizability 78.13 ChemAxon rotatable_bond_count 35 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19035 Specdb::MsMs 75129 Specdb::MsMs 75130 Specdb::MsMs 75131 Specdb::MsMs 134700 Specdb::MsMs 134701 Specdb::MsMs 134702 Specdb::MsMs 2511915 Specdb::MsMs 2511916 Specdb::MsMs 2511917 Specdb::MsMs 2707394 Specdb::MsMs 2707395 Specdb::MsMs 2707396 Specdb::MsMs 2998885 Specdb::MsMs 2998886 Specdb::MsMs 2998887 HMDB31131 #<Reference:0x000055ce2f23fe80>