(((2R,3S,4R,5R)-5-(5-Ethynyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)triphosphoric acid CAS 1004955-96-7

Purity 97%+In StockPharmaceutical Standards
CAS No.1004955-96-7
Molecular FormulaC11H15N2O15P3
Molecular Weight508.16 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(((2R,3S,4R,5R)-5-(5-Ethynyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)triphosphoric acid CAS 1004955-96-7 chemical structure

Description

The occurrence of (((2R,3S,4R,5R)-5-(5-Ethynyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)triphosphoric acid is closely related to a carbohydrate-derived structure, an amide group, a phosphate ester group in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

(((2R,3S,4R,5R)-5-(5-Ethynyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)triphosphoric acid (CAS 1004955-96-7) is a high-purity analytical reference standard with the molecular formula C11H15N2O15P3 and a molecular weight of 508.16 g/mol.

Structurally, (((2R,3S,4R,5R)-5-(5-Ethynyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)triphosphoric acid (C11H15N2O15P3) contains a carbohydrate-derived structure, an amide group, a phosphate ester group. The molecule exhibits a degree of unsaturation (DBE) of 5.5, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 508.16 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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-(5-Ethynyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)triphosphoric 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 FormulaC11H15N2O15P3
Molecular Weight508.16 g/mol
AppearanceOff-white to pale yellow crystalline powder
Purity97%+
StorageStore in a cool place (≤25°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
Degree of Unsaturation (DBE)5.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1988
Nitrogen Atoms2

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