Sulfoxonium, [(5S)-5-[[(1,1-dimethylethoxy)carbonyl]amino]-2,6-dioxo-6-(phenylmethoxy)hexyl]dimethyl-, inner salt CAS 1133931-71-1
| CAS No. | 1133931-71-1 |
| Molecular Formula | C20H29NO6S |
| Molecular Weight | 411.51 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Sulfoxonium, [(5S)-5-[[(1,1-dimethylethoxy)carbonyl]amino]-2,6-dioxo-6-(phenylmethoxy)hexyl]dimethyl-, inner salt (CAS 1133931-71-1), molecular formula C20H29NO6S and molecular weight 411.51 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C20H29NO6S, Sulfoxonium, [(5S)-5-[[(1,1-dimethylethoxy)carbonyl]amino]-2,6-dioxo-6-(phenylmethoxy)hexyl]dimethyl-, inner salt contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 411.51 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 Formula | C20H29NO6S |
| Molecular Weight | 411.51 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Sulfoxonium Standards
Recommended Standards
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- Alectinib Impurity 16 (CAS 1256584-83-4)
- Metrenperone-d4 (CAS 1346600-31-4)
- 5-Amino-6-chloro-2,3-dihydro-1h-indol-2-one (CAS 77859-59-7)
- 2-Amino-3-(3-fluorophenyl)-3-hydroxypropanoic acid (CAS 321-80-2)
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- 6-Bromo-5-chloro-1H-indazole (CAS 1305208-02-9)
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- Aprepitant Impurity 33 (CAS 219821-37-1)
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