(R)-2-Amino-3-((3,5-dichloro-6-((diethoxyphosphorothioyl)oxy)pyridin-2-yl)thio)propanoic acid CAS 870971-31-6
| CAS No. | 870971-31-6 |
| Molecular Formula | C12H17Cl2N2O5PS2 |
| Molecular Weight | 435.28 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including (R)-2-Amino-3-((3,5-dichloro-6-((diethoxyphosphorothioyl)oxy)pyridin-2-yl)thio)propanoic acid.
(R)-2-Amino-3-((3,5-dichloro-6-((diethoxyphosphorothioyl)oxy)pyridin-2-yl)thio)propanoic acid (CAS 870971-31-6), molecular formula C12H17Cl2N2O5PS2 and molecular weight 435.28 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, (R)-2-Amino-3-((3,5-dichloro-6-((diethoxyphosphorothioyl)oxy)pyridin-2-yl)thio)propanoic acid (C12H17Cl2N2O5PS2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a phosphate ester group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 4.5, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 435.28 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.
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 | C12H17Cl2N2O5PS2 |
| Molecular Weight | 435.28 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 4.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
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