≥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.
| Pubchem Sid | 488196521 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488196521 |
| Canonical Smiles | C1=CC=C(C=C1)C(=O)NC2=NC(=O)N(C=C2)C3C(C(C(O3)CO)O)O |
| IUPAC Name | N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide |
| InChIKey | BNXBRFDWSPXODM-BPGGGUHBSA-N |
| INCHI | 1S/C16H17N3O6/c20-8-10-12(21)13(22)15(25-10)19-7-6-11(18-16(19)24)17-14(23)9-4-2-1-3-5-9/h1-7,10,12-13,15,20-22H,8H2,(H,17,18,23,24)/t10-,12-,13-,15-/m1/s1 |
| Isomeric SMILES | C1=CC=C(C=C1)C(=O)NC2=NC(=O)N(C=C2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O |
| WGK Germany | 3 |
| Molecular Weight | 347.32 |
| Reaxy-Rn | 39699646 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=39699646&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Nucleosides, nucleotides, and analogues |
| Class | Pyrimidine nucleosides |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrimidine nucleosides |
| Alternative Parents | Glycosylamines Pentoses Benzamides Benzoyl derivatives Pyrimidones Imidolactams Hydropyrimidines Oxolanes Heteroaromatic compounds 1,2-diols Secondary carboxylic acid amides Secondary alcohols Oxacyclic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrimidine nucleoside - Glycosyl compound - N-glycosyl compound - Pentose monosaccharide - Benzamide - Benzoic acid or derivatives - Benzoyl - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Monosaccharide - Pyrimidine - Benzenoid - Imidolactam - Oxolane - Heteroaromatic compound - 1,2-diol - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Azacycle - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrimidine nucleosides. These are compounds comprising a pyrimidine base attached to a ribosyl or deoxyribosyl moiety. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 J2123086 | Certificate of Analysis | Aug 11, 2025 | B103100 |
| I1213050 | Certificate of Analysis | Jun 03, 2024 | B103100 |
| C2309074 | Certificate of Analysis | Mar 13, 2023 | B103100 |
| C2309079 | Certificate of Analysis | Oct 27, 2021 | B103100 |
| Specific Rotation[α] | 46 ° (C=1, DMSO) |
|---|---|
| Melt Point(°C) | 230-234°C |
| Molecular Weight | 347.320 g/mol |
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 347.112 Da |
| Monoisotopic Mass | 347.112 Da |
| Topological Polar Surface Area | 132.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 586.000 |
| 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 |
