(((((((2R,3S,4R,5R)-5-(6-Amino-2-(propylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)dichloromethyl)phosphonic acid CAS 164992-25-0

Purity 97%+In StockPharmaceutical Standards
CAS No.164992-25-0
Molecular FormulaC14H22Cl2N5O12P3S
Molecular Weight648.24 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(((((((2R,3S,4R,5R)-5-(6-Amino-2-(propylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)dichloromethyl)phosphonic acid CAS 164992-25-0 chemical structure

Description

The occurrence of (((((((2R,3S,4R,5R)-5-(6-Amino-2-(propylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)dichloromethyl)phosphonic acid is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a phosphate ester group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

(((((((2R,3S,4R,5R)-5-(6-Amino-2-(propylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)dichloromethyl)phosphonic acid (CAS 164992-25-0) is a high-purity analytical reference standard with the molecular formula C14H22Cl2N5O12P3S and a molecular weight of 648.24 g/mol.

Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a phosphate ester group, a hydroxyl group, an ether linkage, chlorine substitution, (((((((2R,3S,4R,5R)-5-(6-Amino-2-(propylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)dichloromethyl)phosphonic acid is typically off-white to pale yellow amorphous powder. Its solid-state physicochemical attributes — including a molecular weight of 648.24 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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,4R,5R)-5-(6-Amino-2-(propylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)dichloromethyl)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 FormulaC14H22Cl2N5O12P3S
Molecular Weight648.24 g/mol
Purity97%+
StorageStore in a cool place (≤25°C), protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
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)5.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2004
Halogen ContentCl-containing
Nitrogen Atoms5
Sulfur Atoms1

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