Thulate(1-), [(α1R,α4R,α7R,α10R)-α1,α4,α7,α10-tetramethyl-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetato(4-)-κN1,κN4,κN7,κN10,κO1,κO4,κN7,κN10]-, hydrogen (1:1) CAS 2126179-30-2

Description

Compared with other compounds in its class, the molecular weight of 626.43 g/mol gives Thulate(1-), [(α1R,α4R,α7R,α10R)-α1,α4,α7,α10-tetramethyl-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetato(4-)-κN1,κN4,κN7,κN10,κO1,κO4,κN7,κN10]-, hydrogen (1:1) distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

Thulate(1-), [(α1R,α4R,α7R,α10R)-α1,α4,α7,α10-tetramethyl-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetato(4-)-κN1,κN4,κN7,κN10,κO1,κO4,κN7,κN10]-, hydrogen (1:1) (CAS 2126179-30-2), molecular formula C20H32N4O8TmH and molecular weight 626.43 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, Thulate(1-), [(α1R,α4R,α7R,α10R)-α1,α4,α7,α10-tetramethyl-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetato(4-)-κN1,κN4,κN7,κN10,κO1,κO4,κN7,κN10]-, hydrogen (1:1) (C20H32N4O8TmH) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 6.5, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 626.43 g/mol, it falls into the 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.

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

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