((2R,3S,5R)-5-(2-((4-Butylphenyl)amino)-6-oxo-3H-purin-9(6H)-yl)-3-hydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate CAS 87782-03-4
| CAS No. | 87782-03-4 |
| Molecular Formula | C20H26N5O7P |
| Molecular Weight | 479.42 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including ((2R,3S,5R)-5-(2-((4-Butylphenyl)amino)-6-oxo-3H-purin-9(6H)-yl)-3-hydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate.
CATO supplies ((2R,3S,5R)-5-(2-((4-Butylphenyl)amino)-6-oxo-3H-purin-9(6H)-yl)-3-hydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate (CAS 87782-03-4), a certified reference material (molecular formula C20H26N5O7P, MW 479.42 g/mol) for analytical method development and quality control.
Based on its molecular formula C20H26N5O7P, ((2R,3S,5R)-5-(2-((4-Butylphenyl)amino)-6-oxo-3H-purin-9(6H)-yl)-3-hydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate contains a flavonoid core, an amide group, a phosphate ester group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 479.42 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
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 | C20H26N5O7P |
| Molecular Weight | 479.42 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 10.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1982 |
| Nitrogen Atoms | 5 |
Recommended Standards
- 3-(5-((3,5-Dichlorophenyl)thio)-4-isopropyl-1-(pyridin-4-ylmethyl)-1H-imidazol-2-yl)propyl carbamate (CAS 178980-45-5)
- Phosphoricacidtris(8-quinolylesteR) (CAS 52429-99-9)
- (5-((3,5-Dichlorophenyl)thio)-4-isopropyl-1-(3-(pyridin-2-yl)propyl)-1H-imidazol-2-yl)methyl carbamate (CAS 178980-23-9)
- Sitagliptin impurity 143 (CAS CATO-C4X-1144143)
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