Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 13 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Capecitabine is a tumor-selective fluoropyrimidine carbamate which achieves higher intratumoral 5-FU level with lower toxicity than 5-FU.
An antiproliferative 5-fluorouracil releasing compound
| ALogP | 0.6 |
|---|
| Pubchem Sid | 488183411 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488183411 |
| Sonrisas canónicas | CCCCCOC(=O)NC1=NC(=O)N(C=C1F)C2C(C(C(O2)C)O)O |
| IUPAC Name | pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate |
| InChIKey | GAGWJHPBXLXJQN-UORFTKCHSA-N |
| INCHI | 1S/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1 |
| Isómeros SMILES | CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O |
| WGK Alemania | 3 |
| CAS alternativo | 154361-50-9 |
| Términos de entrada MeSH | capecitabine;N(4)-pentyloxycarbonyl-5'-deoxy-5-fluorocytidine;Xeloda |
| Peso molecular | 359.35 |
| Reaxy-Rn | 12681864 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12681864&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 |
| Clase | 5'-deoxyribonucleosides |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 5'-deoxyribonucleosides |
| Alternative Parents | Glycosylamines Pyrimidones Halopyrimidines Aryl fluorides Hydropyrimidines Tetrahydrofurans Heteroaromatic compounds Secondary alcohols 1,2-diols Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Carboximidic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 5'-deoxyribonucleoside - Glycosyl compound - N-glycosyl compound - Halopyrimidine - Pyrimidone - Aryl fluoride - Aryl halide - Pyrimidine - Hydropyrimidine - Heteroaromatic compound - Tetrahydrofuran - Secondary alcohol - 1,2-diol - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidic acid derivative - Organopnictogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound |
| Descripción | 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 | organofluorine compound - carbamate ester - cytidines |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Jun 29, 2026 | C124969 | |
| Certificate of Analysis | Jun 29, 2026 | C124969 | |
| Certificate of Analysis | Jun 29, 2026 | C124969 | |
| Certificate of Analysis | Jun 29, 2026 | C124969 | |
| Certificate of Analysis | Jun 15, 2026 | C124969 | |
| Certificate of Analysis | Apr 21, 2026 | C124969 | |
| Certificate of Analysis | Apr 06, 2026 | C124969 | |
| Certificate of Analysis | Apr 03, 2026 | C124969 | |
| Certificate of Analysis | Apr 03, 2026 | C124969 | |
| Certificate of Analysis | Apr 03, 2026 | C124969 | |
| Certificate of Analysis | Apr 03, 2026 | C124969 | |
| Certificate of Analysis | Dec 12, 2025 | C124969 | |
| Certificate of Analysis | Aug 11, 2025 | C124969 | |
| Certificate of Analysis | Aug 11, 2025 | C124969 | |
| Certificate of Analysis | Aug 11, 2025 | C124969 | |
| Certificate of Analysis | Jan 10, 2025 | C124969 | |
| Certificate of Analysis | Jan 10, 2025 | C124969 | |
| Certificate of Analysis | Jul 09, 2024 | C124969 | |
| Certificate of Analysis | Apr 02, 2024 | C124969 | |
| Certificate of Analysis | Apr 02, 2024 | C124969 | |
| Certificate of Analysis | Apr 02, 2024 | C124969 | |
| Certificate of Analysis | Mar 08, 2024 | C124969 | |
| Certificate of Analysis | Nov 10, 2023 | C124969 | |
| Certificate of Analysis | Jul 12, 2022 | C124969 | |
| Certificate of Analysis | Dec 21, 2021 | C124969 |
| Solubilidad | Soluble in water (26 mg/ml), ethanol (207 mg/ml), methanol (> 40%), DMF (~14 mg/ml), and DMSO (72 mg/ml at 25 °C). |
|---|---|
| Sensibilidad | heat sensitive |
| Rotación específica [α] | 98° (C=1,MeOH) |
| Punto de fusión (°C) | 123 °C(dec.) |
| Peso molecular | 359.350 g/mol |
| XLogP3 | 0.600 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 359.149 Da |
| Monoisotopic Mass | 359.149 Da |
| Topological Polar Surface Area | 121.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 582.000 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →