((2R,3S,4R,5R)-5-(5-Fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate CAS 796-66-7
| CAS No. | 796-66-7 |
| Molecular Formula | C9H12FN2O9P |
| Molecular Weight | 342.17 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
((2R,3S,4R,5R)-5-(5-Fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate (CAS 796-66-7), molecular formula C9H12FN2O9P and molecular weight 342.17 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C9H12FN2O9P, ((2R,3S,4R,5R)-5-(5-Fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate contains a carbohydrate-derived structure, an amide group, a phosphate ester group, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 342.17 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C9H12FN2O9P |
| Molecular Weight | 342.17 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| 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.) | 1957 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
- 2-Fluoro-N-(pyridin-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (CAS 1419221-32-1)
- 1-Bromo-4-((4-nitrophenyl)sulfonyl)benzene (CAS 75124-91-3)
- N-(4-Fluoropyridin-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (CAS 1419221-30-9)
- 2-((2,4-Dichlorobenzyl)amino)-2-oxoethyl 5-methylfuran-2-carboxylate (CAS 868269-48-1)
- 2-chloro-1,6-naphthyridine-3-carbonitrile (CAS 50345-85-2)
- 6-Bromoisatoic anhydride, 97% (CAS 77603-45-3)
- (2R,3R)-4-((4-fluorophenyl)amino)-2,3-dihydroxy-4-oxobutanoic acid (CAS 206761-65-1)
- N1-methyl-N3-(pyridin-3-ylmethyl)propane-1,3-diamine (CAS 892566-47-1)
- 4,4',4''-(1H-Imidazole-2,4,5-triyl)tribenzoic acid (CAS 2329408-06-0)
- 2-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethan-1-amine (CAS 1016522-32-9)
- 2-Methoxy-4-pyridineboronic Acid (CAS 762262-09-9)
- 2-(3-Butyn-1-yloxy)acetic acid (CAS 121318-21-6)
- tert-Butyl (6-aminopyrimidin-4-yl)(tert-butyl)carbamate (CAS 1823547-56-3)
- (10-31)Semaglutide (CAS CATO-C4X-2226283)
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