((2R,3S)-3-((4-Chlorobenzoyl)oxy)-5-methoxytetrahydrofuran-2-yl)methyl 4-chlorobenzoate CAS 99886-53-0
| CAS No. | 99886-53-0 |
| Molecular Formula | C20H18Cl2O6 |
| Molecular Weight | 425.26 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
((2R,3S)-3-((4-Chlorobenzoyl)oxy)-5-methoxytetrahydrofuran-2-yl)methyl 4-chlorobenzoate (CAS 99886-53-0) is a high-purity analytical reference standard with the molecular formula C20H18Cl2O6 and a molecular weight of 425.26 g/mol.
Structurally, ((2R,3S)-3-((4-Chlorobenzoyl)oxy)-5-methoxytetrahydrofuran-2-yl)methyl 4-chlorobenzoate (C20H18Cl2O6) contains a flavonoid core, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 425.26 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C20H18Cl2O6 |
| Molecular Weight | 425.26 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | Cl-containing |
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