(((2S,3S,5R)-5-(2,4-Dioxo-5-((E)-3-(5-((3aS,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)prop-1-en-1-yl)-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl)methyl)triphosphoric acid CAS 81522-11-4

Purity 97%+In StockPharmaceutical Standards
CAS No.81522-11-4
Molecular FormulaC22H34N5O16P3S
Molecular Weight749.52 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(((2S,3S,5R)-5-(2,4-Dioxo-5-((E)-3-(5-((3aS,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)prop-1-en-1-yl)-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl)methyl)triphosphoric acid CAS 81522-11-4 chemical structure

Description

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.

(((2S,3S,5R)-5-(2,4-Dioxo-5-((E)-3-(5-((3aS,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)prop-1-en-1-yl)-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl)methyl)triphosphoric acid (CAS 81522-11-4) is a high-purity analytical reference standard with the molecular formula C22H34N5O16P3S and a molecular weight of 749.52 g/mol.

The molecular framework of (((2S,3S,5R)-5-(2,4-Dioxo-5-((E)-3-(5-((3aS,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)prop-1-en-1-yl)-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl)methyl)triphosphoric acid (C22H34N5O16P3S) is characterized by a flavonoid core, an amide group, a sulfone group, a phosphate ester group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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).

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.

Physical & Chemical Properties

Molecular FormulaC22H34N5O16P3S
Molecular Weight749.52 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)8.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1980
Nitrogen Atoms5
Sulfur Atoms1

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