1.0 2016-05-25 18:14:02 UTC 2026-04-06 12:10:34 UTC Pyridinoline SmallMolecule Pyridinoline belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the formula C18H28N4O8 and an average molecular weight of 428.44 g/mol. C18H28N4O8 428.4369 428.190713892 4-[(2S)-2-amino-2-carboxyethyl]-3-[(3S)-3-amino-3-carboxypropyl]-1-[(2R,5S)-5-amino-5-carboxylato-2-hydroxypentyl]-5-hydroxypyridin-1-ium 4-[(2S)-2-amino-2-carboxyethyl]-3-[(3S)-3-amino-3-carboxypropyl]-1-[(2R,5S)-5-amino-5-carboxylato-2-hydroxypentyl]-5-hydroxypyridin-1-ium 63800-01-1 N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C([O-])=O)=CC(O)=C1C[C@H](N)C(O)=O)C(O)=O InChI=1S/C18H28N4O8/c19-12(16(25)26)3-1-9-6-22(7-10(23)2-4-13(20)17(27)28)8-15(24)11(9)5-14(21)18(29)30/h6,8,10,12-14,23H,1-5,7,19-21H2,(H3-,24,25,26,27,28,29,30)/t10-,12+,13+,14+/m1/s1 LCYXYLLJXMAEMT-SAXRGWBVSA-N Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues L-alpha-amino acids Amino acids Aralkylamines Azacyclic compounds Carbonyl compounds Carboxylic acid salts Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Hydroxypyridines Monoalkylamines Organic oxides Organic salts Organic zwitterions Organopnictogen compounds Pyridinium derivatives Secondary alcohols Tricarboxylic acids and derivatives Alcohol Amine Amino acid Aralkylamine Aromatic heteromonocyclic compound Azacycle Carbonyl group Carboxylic acid Carboxylic acid salt Heteroaromatic compound Hydrocarbon derivative Hydroxypyridine L-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organic zwitterion Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Pyridine Pyridinium Secondary alcohol Tricarboxylic acid or derivatives Aromatic heteromonocyclic compounds Detected and Not Quantified logp -3.94 ALOGPS logs -3.03 ALOGPS solubility 4.49e-01 g/l ALOGPS logp -13 ChemAxon pka_strongest_acidic 0.73 ChemAxon pka_strongest_basic 9.8 ChemAxon iupac 4-[(2S)-2-amino-2-carboxyethyl]-3-[(3S)-3-amino-3-carboxypropyl]-1-[(2R,5S)-5-amino-5-carboxylato-2-hydroxypentyl]-5-hydroxypyridin-1-ium ChemAxon average_mass 428.4369 ChemAxon mono_mass 428.190713892 ChemAxon smiles N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C([O-])=O)=CC(O)=C1C[C@H](N)C(O)=O)C(O)=O ChemAxon formula C18H28N4O8 ChemAxon inchi InChI=1S/C18H28N4O8/c19-12(16(25)26)3-1-9-6-22(7-10(23)2-4-13(20)17(27)28)8-15(24)11(9)5-14(21)18(29)30/h6,8,10,12-14,23H,1-5,7,19-21H2,(H3-,24,25,26,27,28,29,30)/t10-,12+,13+,14+/m1/s1 ChemAxon inchikey LCYXYLLJXMAEMT-SAXRGWBVSA-N ChemAxon polar_surface_area 237.13 ChemAxon refractivity 114.84 ChemAxon polarizability 43.12 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 11 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72217a8cb8> 105068