TL;DR: 3',5'-Di-O-benzoyl-5-fluoro-2'-O-methyluridine (CAS 158966-44-0) is a chemical compound with molecular formula C24H21FN2O8 and molecular weight 484.1282 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3R,4R,5R)-3-benzoyloxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methyl benzoate
Also Known As: 3',5'-Di-O-benzoyl-5-fluoro-2'-O-methyluridine, [(2R,3R,4R,5R)-3-benzoyloxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methyl benzoate, 3',5'-Di-O-benzoyl-5-fluoro-2'-O-methyl-D-uridine, 3',5'-Di-O-benzoyl-2'-O-methyl-5-fluorouridine, Uridine,5-fluoro-2'-O-methyl-, 3',5'-dibenzoate (9CI)
| Molecular Formula | C24H21FN2O8 |
| Molecular Weight | 484.1282 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 484.1282 Da |
| Heavy Atoms | 35 |
| Complexity | 852.0 |
| SMILES | CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4 |
| InChIKey | OLOLDETYCPQDLO-ANTGDGSKSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3',5'-Di-O-benzoyl-5-fluoro-2'-O-methyluridine. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3',5'-Di-O-benzoyl-5-fluoro-2'-O-methyluridine. Following Lipinski's Rule of Five, 3',5'-Di-O-benzoyl-5-fluoro-2'-O-methyluridine has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3',5'-Di-O-benzoyl-5-fluoro-2'-O-methyluridine is 158966-44-0.
The molecular formula of 3',5'-Di-O-benzoyl-5-fluoro-2'-O-methyluridine is C24H21FN2O8.
The molecular weight of 3',5'-Di-O-benzoyl-5-fluoro-2'-O-methyluridine is 484.1282 g/mol.
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