TL;DR: 2',3'-Dideoxy-3'-fluoro-5-chlorouridine 5'-triphosphate (CAS 124903-23-7) is a chemical compound with molecular formula C9H13ClFN2O13P3 and molecular weight 503.9303 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[[(2R,3S,5R)-5-(5-chloro-2,4-dioxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: 3'F-5-Cl-ddTTP, 2',3'-Dideoxy-3'-fluoro-5-chlorouridine 5'-triphosphate, Quinoline,2-[2-(1,3-benzodioxol-5-yl)ethyl], Uridine 5'-(tetrahydrogen triphosphate), 5-chloro-2',3'-dideoxy-3'-fluoro-, 5-Chloro-2',3'-dideoxy-3'-fluorouridine 5'-(tetrahydrogen triphos phate)
| Molecular Formula | C9H13ClFN2O13P3 |
| Molecular Weight | 503.9303 g/mol |
| XLogP | -3.1 |
| Topological Polar Surface Area (TPSA) | 218.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 503.9303 Da |
| Heavy Atoms | 29 |
| Complexity | 862.0 |
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Cl)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)F |
| InChIKey | PMXKCWWCCFEDIK-RRKCRQDMSA-N |
The XLogP value of -3.1 indicates that 2',3'-Dideoxy-3'-fluoro-5-chlorouridine 5'-triphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 218.0 Ų indicates high polarity, suggesting 2',3'-Dideoxy-3'-fluoro-5-chlorouridine 5'-triphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2',3'-Dideoxy-3'-fluoro-5-chlorouridine 5'-triphosphate has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2',3'-Dideoxy-3'-fluoro-5-chlorouridine 5'-triphosphate is 124903-23-7.
The molecular formula of 2',3'-Dideoxy-3'-fluoro-5-chlorouridine 5'-triphosphate is C9H13ClFN2O13P3.
The molecular weight of 2',3'-Dideoxy-3'-fluoro-5-chlorouridine 5'-triphosphate is 503.9303 g/mol.
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