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| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
Moligand™ Moligand™ 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.
| Canonical Smiles | COC(=O)N1CCC(CC1)CC#Cc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)C(=O)NC1CC1 |
|---|---|
| IUPAC Name | methyl 4-[3-[6-amino-9-[(2R,3R,4S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]prop-2-ynyl]piperidine-1-carboxylate |
| InChIKey | SQJXTUJMBYVDBB-RQXXJAGISA-N |
| INCHI | 1S/C23H29N7O6/c1-35-23(34)29-9-7-12(8-10-29)3-2-4-14-27-19(24)15-20(28-14)30(11-25-15)22-17(32)16(31)18(36-22)21(33)26-13-5-6-13/h11-13,16-18,22,31-32H,3,5-10H2,1H3,(H,26,33)(H2,24,27,28)/t16-,17+,18-,22+/m0/s1 |
| Isomeric SMILES | COC(=O)N1CCC(CC1)CC#CC2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)C(=O)NC5CC5)O)O)N |
| PubChem CID | 11627443 |
| Molecular Weight | 499.5 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Nucleosides, nucleotides, and analogues |
| Class | Purine nucleosides |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Purine nucleosides |
| Alternative Parents | Glycosylamines 6-aminopurines Piperidinecarboxylic acids Aminopyrimidines and derivatives Imidolactams N-substituted imidazoles Heteroaromatic compounds Oxolanes Methylcarbamates Secondary carboxylic acid amides 1,2-diols Secondary alcohols Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Primary amines Carbonyl compounds Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Purine nucleoside - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Imidazopyrimidine - Piperidinecarboxylic acid - Purine - Aminopyrimidine - N-substituted imidazole - Piperidine - Pyrimidine - Imidolactam - Carbamic acid ester - Azole - Imidazole - Oxolane - Heteroaromatic compound - Methylcarbamate - Amino acid or derivatives - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - 1,2-diol - Azacycle - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Organic nitrogen compound - Primary amine - Organic oxygen compound - Organic oxide - Alcohol - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as purine nucleosides. These are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| Molecular Weight | 499.500 g/mol |
|---|---|
| XLogP3 | 0.000 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 6 |
| Exact Mass | 499.218 Da |
| Monoisotopic Mass | 499.218 Da |
| Topological Polar Surface Area | 178.000 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 898.000 |
| 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 |
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