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≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | C1C(C(OC1N2C=C(C(=O)NC2=O)Br)COP(=O)([O-])[O-])O.[Na+].[Na+] |
|---|---|
| IUPAC Name | disodium;[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphate |
| InChIKey | UBKAOEOILGHOCX-OJSHLMAWSA-L |
| INCHI | 1S/C9H12BrN2O8P.2Na/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18;;/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18);;/q;2*+1/p-2/t5-,6+,7+;;/m0../s1 |
| Isómeros SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COP(=O)([O-])[O-])O.[Na+].[Na+] |
| PubChem CID | 53249582 |
| Peso molecular | 419.05 |
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 nucleotides |
| Subclass | Pyrimidine deoxyribonucleotides |
| Intermediate Tree Nodes | Pyrimidine deoxyribonucleoside monophosphates |
| Direct Parent | Pyrimidine 2'-deoxyribonucleoside monophosphates |
| Alternative Parents | Pyrimidones Halopyrimidines Alkyl phosphates Aryl bromides Hydropyrimidines Vinylogous amides Oxolanes Heteroaromatic compounds Ureas Secondary alcohols Lactams Oxacyclic compounds Azacyclic compounds Organic metal halides Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organobromides Organic cations |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrimidine 2'-deoxyribonucleoside monophosphate - Halopyrimidine - Pyrimidone - Aryl bromide - Aryl halide - Hydropyrimidine - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Heteroaromatic compound - Oxolane - Vinylogous amide - Lactam - Secondary alcohol - Urea - Organic metal halide - Oxacycle - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Organic salt - Organooxygen compound - Organonitrogen compound - Organobromide - Hydrocarbon derivative - Organohalogen compound - Alcohol - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organic sodium salt - Organic cation - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleoside monophosphates. These are pyrimidine nucleotides with a monophosphate group linked to the ribose moiety lacking a hydroxyl group at position 2. |
| External Descriptors | Not available |
| Peso molecular | 431.040 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 429.915 Da |
| Monoisotopic Mass | 429.915 Da |
| Topological Polar Surface Area | 151.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 522.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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 | 3 |