799812-63-8 (2S,3R,4E)-2-Azaniumyl-3-hydroxy-18-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)octadec-4-en-1-yl hydrogen phosphate DTXSID80677052 CAS 799812-63-8

Purity 97%+In StockPharmaceutical Standards
CAS No.799812-63-8
Molecular FormulaC28H53N4O7PS
Molecular Weight620.78 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

799812-63-8
(2S,3R,4E)-2-Azaniumyl-3-hydroxy-18-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)octadec-4-en-1-yl hydrogen phosphate
DTXSID80677052 CAS 799812-63-8 chemical structure

Description

The occurrence of 799812-63-8 (2S,3R,4E)-2-Azaniumyl-3-hydroxy-18-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)octadec-4-en-1-yl hydrogen phosphate DTXSID80677052 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 in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

799812-63-8 (2S,3R,4E)-2-Azaniumyl-3-hydroxy-18-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)octadec-4-en-1-yl hydrogen phosphate DTXSID80677052 (CAS 799812-63-8), molecular formula C28H53N4O7PS and molecular weight 620.78 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of 799812-63-8 (2S,3R,4E)-2-Azaniumyl-3-hydroxy-18-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)octadec-4-en-1-yl hydrogen phosphate DTXSID80677052 (C28H53N4O7PS) is characterized by a nitrogen-containing heterocyclic scaffold, 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

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 FormulaC28H53N4O7PS
Molecular Weight620.78 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)4.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1986
Nitrogen Atoms4
Sulfur Atoms1

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