TL;DR: Pyridinoline (CAS 63800-01-1) is a chemical compound with molecular formula C18H28N4O8 and molecular weight 428.1907 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,5R)-2-amino-6-[4-[(2S)-2-amino-2-carboxyethyl]-3-[(3S)-3-amino-3-carboxypropyl]-5-hydroxypyridin-1-ium-1-yl]-5-hydroxyhexanoate
Also Known As: Pyridinoline, Hydroxylysylpyridinoline, (+)-pyridinoline, hydroxylysyl pyridinoline, 2-Methoxy-buten-(2)
| Molecular Formula | C18H28N4O8 |
| Molecular Weight | 428.1907 g/mol |
| XLogP | -8.6 |
| Topological Polar Surface Area (TPSA) | 237.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 428.1907 Da |
| Heavy Atoms | 30 |
| Complexity | 587.0 |
| SMILES | C1=C(C(=C(C=[N+]1C[C@@H](CC[C@@H](C(=O)[O-])N)O)O)C[C@@H](C(=O)O)N)CC[C@@H](C(=O)O)N |
| InChIKey | LCYXYLLJXMAEMT-SAXRGWBVSA-N |
The XLogP value of -8.6 indicates that Pyridinoline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 237.0 Ų indicates high polarity, suggesting Pyridinoline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pyridinoline has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Pyridinoline is 63800-01-1.
The molecular formula of Pyridinoline is C18H28N4O8.
The molecular weight of Pyridinoline is 428.1907 g/mol.
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