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≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O |
|---|---|
| IUPAC Name | 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione |
| InChIKey | IQFYYKKMVGJFEH-UHFFFAOYSA-N |
| INCHI | 1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16) |
| Isómeros SMILES | CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O |
| CAS alternativo | 16053-52-4,50-89-5 |
| PubChem CID | 1134 |
| Número NSC | 21548 |
| Términos de entrada MeSH | 1-(2'-deoxy-beta-D-threo-pentofuranosyl)thymine;1-(2'-deoxy-beta-threopentofuranosyl)thymine;1-DPFT |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Nucleosides, nucleotides, and analogues |
| Clase | Pyrimidine nucleosides |
| Subclass | Pyrimidine 2'-deoxyribonucleosides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrimidine 2'-deoxyribonucleosides |
| Alternative Parents | Pyrimidones Hydropyrimidines Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Ureas Secondary alcohols Lactams Oxacyclic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrimidine 2'-deoxyribonucleoside - Pyrimidone - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Tetrahydrofuran - Vinylogous amide - Lactam - Secondary alcohol - Urea - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleosides. These are compounds consisting of a pyrimidine linked to a ribose which lacks a hydroxyl group at position 2. |
| External Descriptors | a pyrimidine-related compound - a deoxynucleoside |
| Peso molecular | 242.230 g/mol |
|---|---|
| XLogP3 | -1.200 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 242.09 Da |
| Monoisotopic Mass | 242.09 Da |
| Topological Polar Surface Area | 99.100 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 381.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |