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· · COA & SDS available for every product · Same-day shipping on in-stock items ((2S,5R)-5-(5-Methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2,5-dihydrofuran-2-yl)methyl benzoate - ≥97% , CAS No.122567-97-9
Synonyms
J-502684 | Stavudine impurity I [EP IMPURITY] | SCHEMBL8405217 | Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-benzoate | 5'-Benzoyl-2',3'-dideoxy-2',3'-didehydrothymidine | VKZ4492GHU | ((2S,5R)-5-(5-Methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2,5-dihydro
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
J-502684 | Stavudine impurity I [EP IMPURITY] | SCHEMBL8405217 | Thymidine, 2', 3'-didehydro-3'-deoxy-, 5'-benzoate | 5'-Benzoyl-2', 3'-dideoxy-2', 3'-didehydrothymidine | VKZ4492GHU | ((2S, 5R)-5-(5-Methyl-2, 4-dioxo-3, 4-dihydropyrimidin-1(2H)-yl)-2, 5-dihydro
Specifications & Purity
≥97%
Names and Identifiers Canonical Smiles CC1=CN(C(=O)NC1=O)C2C=CC(O2)COC(=O)C3=CC=CC=C3 IUPAC Name [(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl benzoate InChIKey BKZQWZPYZIYYAQ-UONOGXRCSA-N INCHI 1S/C17H16N2O5/c1-11-9-19(17(22)18-15(11)20)14-8-7-13(24-14)10-23-16(21)12-5-3-2-4-6-12/h2-9,13-14H,10H2,1H3,(H,18,20,22)/t13-,14+/m0/s1 Isomeric SMILES CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COC(=O)C3=CC=CC=C3 PubChem CID 452583 Molecular Weight 328.32
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Nucleosides, nucleotides, and analogues Class Nucleoside and nucleotide analogues Subclass Not available Intermediate Tree Nodes Not available Direct Parent Nucleoside and nucleotide analogues Alternative Parents Benzoic acid esters Benzoyl derivatives Pyrimidones Hydropyrimidines Vinylogous amides Dihydrofurans Heteroaromatic compounds Ureas Carboxylic acid esters Lactams Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Benzoate ester - Benzoic acid or derivatives - Benzoyl - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Pyrimidine - Benzenoid - Dihydrofuran - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Lactam - Urea - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as nucleoside and nucleotide analogues. These are analogues of nucleosides and nucleotides. These include phosphonated nucleosides, C-glycosylated nucleoside bases, analogues where the sugar unit is a pyranose, and carbocyclic nucleosides, among others. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 328.320 g/mol XLogP3 1.400 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 5 Exact Mass 328.106 Da Monoisotopic Mass 328.106 Da Topological Polar Surface Area 84.900 Ų Heavy Atom Count 24 Formal Charge 0 Complexity 592.000 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
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