[[(2R,3S,5R)-5-(6-amino-2-fluoro-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS 118405-60-0
| CAS No. | 118405-60-0 |
| Molecular Formula | C10H23FN5O12P3 |
| Molecular Weight | 517.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, [[(2R,3S,5R)-5-(6-amino-2-fluoro-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate (C10H23FN5O12P3) contains a carbohydrate-derived structure, an amide group, a phosphate ester group, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 1.5, corresponding to approximately 1 ring(s) or double-bond equivalent(s). With a molecular weight of 517.24 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
[[(2R,3S,5R)-5-(6-amino-2-fluoro-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate (CAS 118405-60-0) is a high-purity analytical reference standard with the molecular formula C10H23FN5O12P3 and a molecular weight of 517.24 g/mol.
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 | C10H23FN5O12P3 |
| Molecular Weight | 517.24 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 | Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 1.5 |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 5 |
Recommended Standards
- Afoxolaner Impurity 17 (CAS CATO-C4X-313717)
- [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate (CAS 73449-07-7)
- 3-(3,5-Dibromo-2-ethoxyphenyl)-6-(pyrrolidin-1-yl)-[1,2,4]triazolo[3,4-a]phthalazine (CAS 87540-17-8)
- N,N'-(propane-1,3-diyl)bis(2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)acetamide) (CAS 685107-55-5)
- 1-Benzyl-4-(dimethylamino)piperidine (CAS 64168-08-7)
- 1-(2,4-Difluorophenyl)-4-(4-methoxyphenyl)-1H-pyrazol-5-amine (CAS 1202029-97-7)
- 3-Amino-4-methoxy-N,N-dimethylbenzamide (CAS 953888-49-8)
- 2-(4-Oxo-2-thiOxothiazolidin-3-yl)benzoic acid (CAS 90800-46-7)
- 6-Hydroxy-5-methyl-2-(2-(methylamino)ethyl)pyrimidin-4(3H)-one dihydrochloride (CAS 2137765-30-9)
- [(3R,4R)-4-Ethylpyrrolidin-3-yl]methanol (CAS 2227199-24-6)
- Gentiournoside D (CAS 157722-21-9)
- 4-Bromo-4'-butyl-2-fluoro-1,1'-biphenyl (CAS 116831-34-6)
- 2-Amino-N-(((S)-1-benzylpiperidin-2-yl)methyl)-3-methylbutanamide (CAS 1354026-58-6)
- Semaglutide impurity 272 (CAS CATO-C4X-2226272)
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