50411-91-1 CTK4J2581 S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-4-HYDROXY-3-PHOSPHONOOXYOXOLAN-2-YL]METHOXY-HYDROXYPHOSPHORYL]OXY-HYDROXYPHOSPHORYL]OXY-2-HYDROXY-3,3-DIMETHYLBUTANOYL]AMINO]PROPANOYLAMINO]ETHYL] 3-OXODECANETHIOATE CAS 50411-91-1

Purity 97%+In StockPharmaceutical Standards
CAS No.50411-91-1
Molecular FormulaC31H49N7O18P3S
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

50411-91-1 CTK4J2581 S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-4-HYDROXY-3-PHOSPHONOOXYOXOLAN-2-YL]METHOXY-HYDROXYPHOSPHORYL]OXY-HYDROXYPHOSPHORYL]OXY-2-HYDROXY-3,3-DIMETHYLBUTANOYL]AMINO]PROPANOYLAMINO]ETHYL] 3-OXODECANETHIOATE CAS 50411-91-1 chemical structure

Description

Structurally, 50411-91-1 CTK4J2581 S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-4-HYDROXY-3-PHOSPHONOOXYOXOLAN-2-YL]METHOXY-HYDROXYPHOSPHORYL]OXY-HYDROXYPHOSPHORYL]OXY-2-HYDROXY-3,3-DIMETHYLBUTANOYL]AMINO]PROPANOYLAMINO]ETHYL] 3-OXODECANETHIOATE (C31H49N7O18P3SH4N) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a phosphate ester group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 9.5, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 950.78 g/mol, it falls into the high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

CATO supplies 50411-91-1 CTK4J2581 S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-4-HYDROXY-3-PHOSPHONOOXYOXOLAN-2-YL]METHOXY-HYDROXYPHOSPHORYL]OXY-HYDROXYPHOSPHORYL]OXY-2-HYDROXY-3,3-DIMETHYLBUTANOYL]AMINO]PROPANOYLAMINO]ETHYL] 3-OXODECANETHIOATE (CAS 50411-91-1), a certified reference material (molecular formula C31H49N7O18P3SH4N, MW 950.78 g/mol) for analytical method development and quality control.

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 FormulaC31H49N7O18P3S 3*H4N
Molecular Weight950.78 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
Degree of Unsaturation (DBE)9.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1971
Nitrogen Atoms8
Sulfur Atoms1

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