TL;DR: Kifunensine (CAS 109945-04-2) is a chemical compound with molecular formula C8H12N2O6 and molecular weight 232.06953 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5R,6R,7S,8R,8aS)-6,7,8-trihydroxy-5-(hydroxymethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,3-dione
Also Known As: kifunensine, (+)-Kifunensine, 2wvz, 1fo3, 1ps3
| Molecular Formula | C8H12N2O6 |
| Molecular Weight | 232.06953 g/mol |
| XLogP | -2.8 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.06953 Da |
| Heavy Atoms | 16 |
| Complexity | 334.0 |
| SMILES | C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H]2N1C(=O)C(=O)N2)O)O)O)O |
| InChIKey | OIURYJWYVIAOCW-PQMKYFCFSA-N |
The XLogP value of -2.8 indicates that Kifunensine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Kifunensine. Following Lipinski's Rule of Five, Kifunensine has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Kifunensine is 109945-04-2.
The molecular formula of Kifunensine is C8H12N2O6.
The molecular weight of Kifunensine is 232.06953 g/mol.
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