Determine the necessary mass, volume, or concentration for preparing a solution.
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for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| ALogP | 2 |
|---|
| Canonical Smiles | CC(C)(C)C(=O)OCOP(=O)(COC1(CC1)CN2C=NC3=CN=C(N=C32)N)OCOC(=O)C(C)(C)C |
|---|---|
| IUPAC Name | [[1-[(2-aminopurin-9-yl)methyl]cyclopropyl]oxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate |
| InChIKey | JLKJXDOWBVVABZ-UHFFFAOYSA-N |
| INCHI | 1S/C22H34N5O8P/c1-20(2,3)17(28)31-12-34-36(30,35-13-32-18(29)21(4,5)6)14-33-22(7-8-22)10-27-11-25-15-9-24-19(23)26-16(15)27/h9,11H,7-8,10,12-14H2,1-6H3,(H2,23,24,26) |
| Isomeric SMILES | CC(C)(C)C(=O)OCOP(=O)(COC1(CC1)CN2C=NC3=CN=C(N=C32)N)OCOC(=O)C(C)(C)C |
| PubChem CID | 6480442 |
| Molecular Weight | 527.5 |
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 | Dialkyl alkylphosphonates Aminopyrimidines and derivatives Phosphonic acid esters N-substituted imidazoles Dicarboxylic acids and derivatives Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Primary amines Organophosphorus compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Purine - Aminopyrimidine - Dialkyl alkylphosphonate - Phosphonic acid diester - Dicarboxylic acid or derivatives - Pyrimidine - Phosphonic acid ester - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Organophosphonic acid derivative - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organophosphorus compound - Primary amine - Organic nitrogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen 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 | 527.500 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 15 |
| Exact Mass | 527.215 Da |
| Monoisotopic Mass | 527.215 Da |
| Topological Polar Surface Area | 167.000 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 805.000 |
| 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 |