Determine the necessary mass, volume, or concentration for preparing a solution.
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≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 8 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| ALogP | -0.9 |
|---|
| Pubchem Sid | 504753717 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504753717 |
| Sorrisos canónicos | C1C(OC(S1)CO)N2C=CC(=NC2=O)N |
| IUPAC Name | 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one |
| InChIKey | JTEGQNOMFQHVDC-NKWVEPMBSA-N |
| INCHI | 1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1 |
| SMILES isoméricas | C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N |
| WGK Alemanha | 3 |
| RTECS | UW7361333 |
| Peso molecular | 229.26 |
| Reaxy-Rn | 5908118 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5908118&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Nucleosides, nucleotides, and analogues |
| Classe | Nucleoside and nucleotide analogues |
| Subclass | 3'-thia pyrimidine nucleosides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 3'-thia pyrimidine nucleosides |
| Alternative Parents | Hydroxypyrimidines Hydropyrimidines Oxathiolanes Monothioacetals Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3'-thia pyrimidine nucleoside - Hydroxypyrimidine - Hydropyrimidine - Pyrimidine - Monothioacetal - Oxathiolane - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Oxacycle - Organopnictogen compound - Organic oxygen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Descrição | This compound belongs to the class of organic compounds known as 3'-thia pyrimidine nucleosides. These are nucleoside analogues with a structure that consists of a pyrimidine base, which is N-substituted at the 1-position with a 3'-thia derivative (1,3-oxazolidine) of the ribose moiety that is characteristic of nucleosides. |
| External Descriptors | primary alcohol - oxacycle - monothioacetal |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Data | Item |
|---|---|---|---|
| Certificate of Analysis | Sep 22, 2026 | L129788 | |
| Certificate of Analysis | Apr 23, 2024 | L129788 | |
| Certificate of Analysis | Nov 09, 2023 | L129788 | |
| Certificate of Analysis | Nov 09, 2023 | L129788 | |
| Certificate of Analysis | Nov 09, 2023 | L129788 | |
| Certificate of Analysis | Nov 09, 2023 | L129788 | |
| Certificate of Analysis | Nov 09, 2023 | L129788 | |
| Certificate of Analysis | Nov 09, 2023 | L129788 | |
| Certificate of Analysis | May 31, 2022 | L129788 | |
| Certificate of Analysis | May 31, 2022 | L129788 | |
| Certificate of Analysis | May 31, 2022 | L129788 |
| Solubilidade | (soluble): water and methanol; Solubility in water: 70000 mg / L 20 ° C |
|---|---|
| Sensibilidade | Heat sensitive |
| Rotação específica [α] | [α]D:-142°(C=1,MeOH) |
| Ponto de fusão (°C) | 177 °C |
| Peso molecular | 229.260 g/mol |
| XLogP3 | -0.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 229.052 Da |
| Monoisotopic Mass | 229.052 Da |
| Topological Polar Surface Area | 113.000 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 331.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |