(1R,2S,3S,4R,5R)-2,3-Dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl 4-methylbenzenesulfonate CAS 3868-05-1
| CAS No. | 3868-05-1 |
| Molecular Formula | C13H16O7S |
| Molecular Weight | 316.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
(1R,2S,3S,4R,5R)-2,3-Dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl 4-methylbenzenesulfonate (CAS 3868-05-1), molecular formula C13H16O7S and molecular weight 316.33 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, (1R,2S,3S,4R,5R)-2,3-Dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl 4-methylbenzenesulfonate (C13H16O7S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 316.33 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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
| Molecular Formula | C13H16O7S |
| Molecular Weight | 316.33 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1958 |
| Sulfur Atoms | 1 |
Recommended Standards
- S-(5-((S)-2-Amino-2-carboxyethyl)-2,3-dihydroxyphenyl)-L-cysteine (CAS 19641-92-0)
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- Benzyl 2-Naphthyl Ether (CAS 613-62-7)
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- Ramelteon (CAS 196597-26-9)
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- 2-(4-Amino-1,2,5-oxadiazol-3-yl)acetamide (CAS 383881-15-0)
- D-Ile12-Tirzepatide (CAS CATO-CPTD788921)
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