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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.
| Canonical Smiles | C1CC1(CN2C=NC3=C(N=CN=C32)N)OCP(=O)(O)O |
|---|---|
| IUPAC Name | [1-[(6-aminopurin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid |
| InChIKey | KVKDQCZZONJMEE-UHFFFAOYSA-N |
| INCHI | 1S/C10H14N5O4P/c11-8-7-9(13-4-12-8)15(5-14-7)3-10(1-2-10)19-6-20(16,17)18/h4-5H,1-3,6H2,(H2,11,12,13)(H2,16,17,18) |
| Isomeric SMILES | C1CC1(CN2C=NC3=C(N=CN=C32)N)OCP(=O)(O)O |
| PubChem CID | 5270770 |
| Molecular Weight | 299.23 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | 6-aminopurines |
| Alternative Parents | Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Organic phosphonic acids Heteroaromatic compounds Azacyclic compounds Primary amines Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 6-aminopurine - Aminopyrimidine - N-substituted imidazole - Imidolactam - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Organophosphonic acid - Organophosphonic acid derivative - Azacycle - Organonitrogen compound - Organophosphorus compound - Primary amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 6-aminopurines. These are purines that carry an amino group at position 6. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring. |
| External Descriptors | Not available |
| Molecular Weight | 299.220 g/mol |
|---|---|
| XLogP3 | -1.700 |
| 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 |