{[(2R,3S,5R)-5-[2,4-dioxo-5-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid CAS 345-02-8

Purity 97%+In StockPharmaceutical Standards
CAS No.345-02-8
Molecular FormulaC10H14F3N2O8P
Molecular Weight378.20 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

{[(2R,3S,5R)-5-[2,4-dioxo-5-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid CAS 345-02-8 chemical structure

Description

{[(2R,3S,5R)-5-[2,4-dioxo-5-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid (CAS 345-02-8) is a high-purity analytical reference standard with the molecular formula C10H14F3N2O8P and a molecular weight of 378.20 g/mol.

Structurally, {[(2R,3S,5R)-5-[2,4-dioxo-5-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid (C10H14F3N2O8P) contains a carbohydrate-derived structure, an amide group, a phosphate ester group, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 3.5, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 378.20 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.

As a certified reference material (CRM), {[(2R,3S,5R)-5-[2,4-dioxo-5-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC10H14F3N2O8P
Molecular Weight378.20 g/mol
AppearanceWhite to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in methanol, ethanol, DMSO
StabilityMay 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 AbsorptionUV-absorbing
CAS Registry Year (est.)1957
Halogen ContentF-containing
Nitrogen Atoms2

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