Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
| Pubchem Sid | 504773343 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504773343 |
| Canonical Smiles | CC1(OC2C(OC(C2O1)N3C=NC4=C3N=CNC4=O)CO)C |
| IUPAC Name | 9-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1H-purin-6-one |
| InChIKey | LIEKLUBCIPVWQD-WOUKDFQISA-N |
| INCHI | 1S/C13H16N4O5/c1-13(2)21-8-6(3-18)20-12(9(8)22-13)17-5-16-7-10(17)14-4-15-11(7)19/h4-6,8-9,12,18H,3H2,1-2H3,(H,14,15,19)/t6-,8-,9-,12-/m1/s1 |
| Isomeric SMILES | CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=NC4=C3N=CNC4=O)CO)C |
| Molecular Weight | 308.29 |
| Beilstein | 26(3/4)2096 |
| Reaxy-Rn | 43945787 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=43945787&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 | Purine nucleosides |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Purine nucleosides |
| Alternative Parents | 6-oxopurines Hypoxanthines Pyrimidones Ketals N-substituted imidazoles Monosaccharides Vinylogous amides Tetrahydrofurans 1,3-dioxolanes Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Primary alcohols Organonitrogen compounds Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Purine nucleoside - 6-oxopurine - Hypoxanthine - Purinone - Imidazopyrimidine - Purine - Ketal - Pyrimidone - Monosaccharide - N-substituted imidazole - Pyrimidine - Meta-dioxolane - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Tetrahydrofuran - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - 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 |
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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 | Aug 01, 2023 | I119513 |
| Specific Rotation[α] | -61.0 to -71.0°(C=0.8, Methanol) |
|---|---|
| Molecular Weight | 308.290 g/mol |
| XLogP3 | -1.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 308.112 Da |
| Monoisotopic Mass | 308.112 Da |
| Topological Polar Surface Area | 107.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 513.000 |
| 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 |