N-(5-Amino-5-carboxypentyl)-3-hydroxy-4-(2-amino-2-carboxyethyl)-5-(3-amino-3-carboxypropyl)pyridine

Base Information

• Chemical Name: N-(5-Amino-5-carboxypentyl)-3-hydroxy-4-(2-amino-2-carboxyethyl)-5-(3-amino-3-carboxypropyl)pyridine
• CAS No.: 90032-33-0
• Molecular Formula: C18H28N4O7
• Molecular Weight: 412.4375
• Wikipedia: Deoxypyridinoline
• Wikidata: Q1200841
• NCI Thesaurus Code: C126897
• Mol file: 90032-33-0.mol

Synonyms:deoxypyridinoline;deoxypyridinoline, stereoisomer;lysylpyridinoline;N-(5-amino-5-carboxypentyl)-3-hydroxy-4-(2-amino-2-carboxyethyl)-5-(3-amino-3-carboxypropyl)pyridine

Chemical Property of N-(5-Amino-5-carboxypentyl)-3-hydroxy-4-(2-amino-2-carboxyethyl)-5-(3-amino-3-carboxypropyl)pyridine

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: -7.6
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 12
• Exact Mass: 412.19579924
• Heavy Atom Count: 29
• Complexity: 557

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: C1=C(C(=C(C=[N+]1CCCCC(C(=O)[O-])N)O)CC(C(=O)O)N)CCC(C(=O)O)N
• Isomeric SMILES: C1=C(C(=C(C=[N+]1CCCC[C@H](C(=O)[O-])N)O)C[C@@H](C(=O)O)N)CC[C@@H](C(=O)O)N

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