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.
5'-Deoxy-5'-iodouridine is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis , etc.
Form:Solid
| Canonical Smiles | C1=CN(C(=O)NC1=O)C2C(C(C(O2)CI)O)O |
|---|---|
| IUPAC Name | 1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione |
| InChIKey | NEMNIUYGXIQPPK-XVFCMESISA-N |
| INCHI | 1S/C9H11IN2O5/c10-3-4-6(14)7(15)8(17-4)12-2-1-5(13)11-9(12)16/h1-2,4,6-8,14-15H,3H2,(H,11,13,16)/t4-,6-,7-,8-/m1/s1 |
| Isomeric SMILES | C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CI)O)O |
| PubChem CID | 188325 |
| Molecular Weight | 354.10 |
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 |
| Class | 5'-deoxyribonucleosides |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 5'-deoxyribonucleosides |
| Alternative Parents | Glycosylamines Pentoses Pyrimidones Hydropyrimidines Vinylogous amides Heteroaromatic compounds Tetrahydrofurans Lactams Ureas 1,2-diols Secondary alcohols Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives Alkyl iodides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 5'-deoxyribonucleoside - Glycosyl compound - N-glycosyl compound - Pentose monosaccharide - Pyrimidone - Hydropyrimidine - Monosaccharide - Pyrimidine - Vinylogous amide - Tetrahydrofuran - Heteroaromatic compound - Urea - Secondary alcohol - 1,2-diol - Lactam - Azacycle - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organonitrogen compound - Organoiodide - Organohalogen compound - Alcohol - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl iodide - Alkyl halide - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 5'-deoxyribonucleosides. These are nucleosides in which the oxygen atom at the 5'position of the ribose moiety has been replaced by another atom. The nucleobases here are limited to purine, pyrimidine, and pyridine derivatives. |
| External Descriptors | Not available |
| Molecular Weight | 354.100 g/mol |
|---|---|
| XLogP3 | -0.700 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 353.971 Da |
| Monoisotopic Mass | 353.971 Da |
| Topological Polar Surface Area | 99.100 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 374.000 |
| 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 |
