Determine the necessary mass, volume, or concentration for preparing a solution.
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10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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.
Information
Besifovir Besifovir is novel and potent acyclic nucleotide phosphonate used to treat hepatitis B virus (HBV) infection.
| Canonical Smiles | C1CC1(CN2C=NC3=CN=C(N=C32)N)OCP(=O)(O)O |
|---|---|
| IUPAC Name | [1-[(2-aminopurin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid |
| InChIKey | KDNSSKPZBDNJDF-UHFFFAOYSA-N |
| INCHI | 1S/C10H14N5O4P/c11-9-12-3-7-8(14-9)15(5-13-7)4-10(1-2-10)19-6-20(16,17)18/h3,5H,1-2,4,6H2,(H2,11,12,14)(H2,16,17,18) |
| Isomeric SMILES | C1CC1(CN2C=NC3=CN=C(N=C32)N)OCP(=O)(O)O |
| Molecular Weight | 299.23 |
| Reaxy-Rn | 9717556 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9717556&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 | Organoheterocyclic compounds |
| Class | Imidazopyrimidines |
| Subclass | Purines and purine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Purines and purine derivatives |
| Alternative Parents | Aminopyrimidines and derivatives N-substituted imidazoles Organic phosphonic acids Heteroaromatic compounds Azacyclic compounds Primary amines Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Purine - Aminopyrimidine - N-substituted imidazole - Pyrimidine - Azole - Imidazole - Organophosphonic acid - Organophosphonic acid derivative - Heteroaromatic compound - Azacycle - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Primary amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring. |
| External Descriptors | Not available |
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| Molecular Weight | 299.220 g/mol |
|---|---|
| XLogP3 | -1.800 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 299.078 Da |
| Monoisotopic Mass | 299.078 Da |
| Topological Polar Surface Area | 136.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 414.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |