1-((1R,3R,4R,6S,7S)-7-hydroxy-1-(hydroxymethyl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-3-yl)pyrimidine-2,4(1H,3H)-dione CAS 945628-49-9
| CAS No. | 945628-49-9 |
| Molecular Formula | C11H14N2O6 |
| Molecular Weight | 270.24 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.
1-((1R,3R,4R,6S,7S)-7-hydroxy-1-(hydroxymethyl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-3-yl)pyrimidine-2,4(1H,3H)-dione (CAS 945628-49-9), molecular formula C11H14N2O6 and molecular weight 270.24 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage, 1-((1R,3R,4R,6S,7S)-7-hydroxy-1-(hydroxymethyl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-3-yl)pyrimidine-2,4(1H,3H)-dione is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 270.24 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
Physical & Chemical Properties
| Molecular Formula | C11H14N2O6 |
| Molecular Weight | 270.24 g/mol |
| Appearance | Off-white to pale yellow crystalline powder |
| 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 |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 2 |
Recommended Standards
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- N-[3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide dihydrochloride (CAS 1955494-73-1)
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- 4-Ethyl-3-(furan-2-yl)-5-((4-methoxybenzyl)thio)-4H-1,2,4-triazole (CAS 577790-47-7)
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