Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98% 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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Abacavir is a powerful nucleoside analog reverse transcriptase inhibitor (NRTI) used to treat HIV and AIDS. Abacavir exhibits antiviral activity. It is associated with myocardial infarction and fatal hypersensitivity reaction (HSR).
| Pubchem Sid | 488189775 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488189775 |
| Canonical Smiles | C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)C4CC(C=C4)CO |
| IUPAC Name | [(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol |
| InChIKey | MCGSCOLBFJQGHM-SCZZXKLOSA-N |
| INCHI | 1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1 |
| Isomeric SMILES | C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@@H]4C[C@@H](C=C4)CO |
| Alternate CAS | 136777-48-5 |
| Molecular Weight | 286.33 |
| Reaxy-Rn | 21292908 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21292908&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 | Nucleoside and nucleotide analogues |
| Subclass | Cyclopentyl nucleosides |
| Intermediate Tree Nodes | 1,3-substituted cyclopentyl nucleosides |
| Direct Parent | 1,3-substituted cyclopentyl purine nucleosides |
| Alternative Parents | 6-alkylaminopurines Secondary alkylarylamines Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Heteroaromatic compounds Azacyclic compounds Primary amines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1,3-substituted cyclopentyl purine nucleoside - 6-alkylaminopurine - 6-aminopurine - Imidazopyrimidine - Purine - Aminopyrimidine - Secondary aliphatic/aromatic amine - N-substituted imidazole - Pyrimidine - Imidolactam - Heteroaromatic compound - Azole - Imidazole - Secondary amine - Organoheterocyclic compound - Azacycle - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Primary alcohol - Primary amine - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1,3-substituted cyclopentyl purine nucleosides. These are nucleoside analogues with a structure that consists of a cyclobutane that is substituted a the 1-position with a hydroxyl group and at the 3-position with either a purine base. |
| External Descriptors | 2,6-diaminopurine |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Apr 02, 2026 | A126552 | |
| Certificate of Analysis | Apr 02, 2026 | A126552 | |
| Certificate of Analysis | Apr 02, 2026 | A126552 | |
| Certificate of Analysis | Apr 02, 2026 | A126552 | |
| Certificate of Analysis | Apr 02, 2026 | A126552 | |
| Certificate of Analysis | Apr 02, 2026 | A126552 | |
| Certificate of Analysis | Apr 02, 2026 | A126552 | |
| Certificate of Analysis | Mar 20, 2026 | A126552 | |
| Certificate of Analysis | Feb 05, 2026 | A126552 | |
| Certificate of Analysis | Jul 10, 2025 | A126552 | |
| Certificate of Analysis | Mar 31, 2023 | A126552 | |
| Certificate of Analysis | Mar 31, 2023 | A126552 | |
| Certificate of Analysis | Jun 15, 2022 | A126552 |
| Solubility | 25°C: DMSO <1 mg/mL; Water 36 mg/mL; Ethanol<1mg/mL |
|---|---|
| Specific Rotation[α] | -54° (C=0.15,MeOH) |
| Melt Point(°C) | 161 °C(dec.) |
| Molecular Weight | 286.330 g/mol |
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 286.154 Da |
| Monoisotopic Mass | 286.154 Da |
| Topological Polar Surface Area | 102.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 414.000 |
| 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 |
| 1. Wang Bin, Chen Yanfen, Wu Yuanya, Weng Bo, Liu Yingshuai, Li Chang Ming. (2016) Synthesis of nitrogen- and iron-containing carbon dots, and their application to colorimetric and fluorometric determination of dopamine. MICROCHIMICA ACTA, 183 (9): (2491-2500). [PMID:] [10.1007/s00604-016-1885-5] |
| 2. Zijun Dong, Zhihao Han, Lulu Zhang, Xiaohui Sun, Chenyu Wang, Yifeng Yang. (2026) Fate and Ecological Risk Assessment of Antiviral Drugs in Multiprocess Wastewater Treatment Plants and Adjacent Watersheds: A Case Study in Shenzhen, China. ACS ES&T Water, [PMID:] [10.1021/acsestwater.5c01216] |
| 3. Chengzhi Zhou, Zongyu Yan, Zhenshun Hou, Yanlong Sun, Ya-nan Zhang. (2026) Agricultural dissolved black carbon modulates photodegradation of antiviral drug: Insights from optical and molecular signatures. JOURNAL OF HAZARDOUS MATERIALS, [PMID:] [10.1016/j.jhazmat.2026.141723] |
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