((2R,5S)-5-(4-Amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl)methyl tetrahydrogen triphosphate CAS 145819-92-7
| CAS No. | 145819-92-7 |
| Molecular Formula | C8H13FN3O12P3S |
| Molecular Weight | 487.19 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of ((2R,5S)-5-(4-Amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl)methyl tetrahydrogen triphosphate is closely related to a carbohydrate-derived structure, an amide group, a sulfone group, a phosphate ester group, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
((2R,5S)-5-(4-Amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl)methyl tetrahydrogen triphosphate (CAS 145819-92-7) is a high-purity analytical reference standard with the molecular formula C8H13FN3O12P3S and a molecular weight of 487.19 g/mol.
Based on its molecular formula C8H13FN3O12P3S, ((2R,5S)-5-(4-Amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl)methyl tetrahydrogen triphosphate contains a carbohydrate-derived structure, an amide group, a sulfone group, a phosphate ester group, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 487.19 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.
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 | C8H13FN3O12P3S |
| Molecular Weight | 487.19 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 3.5 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1998 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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