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| Sonrisas canónicas | C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)F)F |
|---|---|
| IUPAC Name | 5-fluoro-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione |
| InChIKey | QURNODSOJKSTBM-BYPJNBLXSA-N |
| INCHI | 1S/C9H10F2N2O5/c10-3-1-13(9(17)12-7(3)16)8-5(11)6(15)4(2-14)18-8/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5+,6-,8-/m1/s1 |
| Isómeros SMILES | C1=C(C(=O)NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F)F |
| CAS alternativo | 69123-95-1 |
| PubChem CID | 5271378 |
| Términos de entrada MeSH | 1-(2'-deoxy-2'-fluoro-beta--arabinofuranosyl)-5-fluorouracil;2',5-difluoro-1-arabinosyluracil;2',5-difluoro-2'-deoxy-1-arabinosyluracil;2'-F-ara-FU;FF-ara-Ura |
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 | Halopyrimidines Pyrimidones Aryl fluorides Hydropyrimidines Vinylogous amides Heteroaromatic compounds Oxolanes Lactams Secondary alcohols Ureas Fluorohydrins Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Primary alcohols |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrimidine 2'-deoxyribonucleoside - Halopyrimidine - Pyrimidone - Aryl fluoride - Aryl halide - Hydropyrimidine - Pyrimidine - Oxolane - Heteroaromatic compound - Vinylogous amide - Secondary alcohol - Urea - Fluorohydrin - Halohydrin - Lactam - Azacycle - Oxacycle - Organoheterocyclic compound - Alkyl fluoride - Organofluoride - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Alcohol - Organic oxygen compound - Organic nitrogen compound - Primary alcohol - Alkyl halide - 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 | Not available |
| Peso molecular | 264.180 g/mol |
|---|---|
| XLogP3 | -1.100 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 264.056 Da |
| Monoisotopic Mass | 264.056 Da |
| Topological Polar Surface Area | 99.100 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 416.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| 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 |