1.0 2016-06-03 12:13:42 UTC 2026-04-15 18:25:19 UTC trans-1-(1-oxohexadecyl)-4-[(1-oxohexadecyl)oxy]-L-proline SmallMolecule trans-1-(1-oxohexadecyl)-4-[(1-oxohexadecyl)oxy]-L-proline belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 607.96 g/mol, trans-1-(1-oxohexadecyl)-4-[(1-oxohexadecyl)oxy]-L-proline is a heavy molecule. This compound has the chemical formula C37H69NO5. In industrial applications, it is utilized as an anti-static agent as well as a softener and conditioner. The substance has been recorded in one source, specifically drinking water and water supply. The recorded route of exposure for this compound is oral. C37H69NO5 607.961 607.517574326 (2S,4R)-1-hexadecanoyl-4-(hexadecanoyloxy)pyrrolidine-2-carboxylic acid (2S,4R)-1-hexadecanoyl-4-(hexadecanoyloxy)pyrrolidine-2-carboxylic acid 41672-81-5 [H][C@@]1(CN(C(=O)CCCCCCCCCCCCCCC)[C@@]([H])(C1)C(O)=O)OC(=O)CCCCCCCCCCCCCCC InChI=1S/C37H69NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(39)38-32-33(31-34(38)37(41)42)43-36(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34H,3-32H2,1-2H3,(H,41,42)/t33-,34+/m1/s1 QZLXCFQVOCEKSX-NOCHOARKSA-N Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Proline and derivatives Azacyclic compounds Carbonyl compounds Carboxylic acid esters Carboxylic acids Dicarboxylic acids and derivatives Fatty acid esters Hydrocarbon derivatives N-acyl-L-alpha-amino acids N-acylpyrrolidines Organic oxides Organonitrogen compounds Organopnictogen compounds Pyrrolidine carboxylic acids Tertiary carboxylic acid amides Aliphatic heteromonocyclic compound Azacycle Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid ester Dicarboxylic acid or derivatives Fatty acid ester Fatty acyl Hydrocarbon derivative N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-l-alpha-amino acid N-acylpyrrolidine Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Proline or derivatives Pyrrolidine Pyrrolidine carboxylic acid Pyrrolidine carboxylic acid or derivatives Tertiary carboxylic acid amide Aliphatic heteromonocyclic compounds Detected and Not Quantified logp 9.34 ALOGPS logs -7.44 ALOGPS solubility 2.19e-05 g/l ALOGPS logp 11.77 ChemAxon pka_strongest_acidic 3.82 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac (2S,4R)-1-hexadecanoyl-4-(hexadecanoyloxy)pyrrolidine-2-carboxylic acid ChemAxon average_mass 607.961 ChemAxon mono_mass 607.517574326 ChemAxon smiles [H][C@@]1(CN(C(=O)CCCCCCCCCCCCCCC)[C@@]([H])(C1)C(O)=O)OC(=O)CCCCCCCCCCCCCCC ChemAxon formula C37H69NO5 ChemAxon inchi InChI=1S/C37H69NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(39)38-32-33(31-34(38)37(41)42)43-36(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34H,3-32H2,1-2H3,(H,41,42)/t33-,34+/m1/s1 ChemAxon inchikey QZLXCFQVOCEKSX-NOCHOARKSA-N ChemAxon polar_surface_area 83.91 ChemAxon refractivity 176.98 ChemAxon polarizability 79.53 ChemAxon rotatable_bond_count 31 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7226267e48> DB30552 170556 149115