1-(2-Deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-5-fluoro-2,4(1H,3H)-pyrimidinedione CAS 85894-46-8
| CAS No. | 85894-46-8 |
| Molecular Formula | C9H11F2N2O8P |
| Molecular Weight | 344.16 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-(2-Deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-5-fluoro-2,4(1H,3H)-pyrimidinedione is closely related to a carbohydrate-derived structure, an amide group, a phosphate ester group, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 1-(2-Deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-5-fluoro-2,4(1H,3H)-pyrimidinedione (CAS 85894-46-8), a certified reference material (molecular formula C9H11F2N2O8P, MW 344.16 g/mol) for analytical method development and quality control.
1-(2-Deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-5-fluoro-2,4(1H,3H)-pyrimidinedione (C9H11F2N2O8P) contains a carbohydrate-derived structure, an amide group, a phosphate ester group, fluorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C9H11F2N2O8P |
| Molecular Weight | 344.16 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 4.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1981 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
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Recommended Standards
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