≥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.
| Canonical Smiles | C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)N |
|---|---|
| IUPAC Name | 9-[(2R,3R,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one |
| InChIKey | PPLSURAOXNSSRH-QYYRPYCUSA-N |
| INCHI | 1S/C10H13N5O4/c11-5-7(17)4(1-16)19-10(5)15-3-14-6-8(15)12-2-13-9(6)18/h2-5,7,10,16-17H,1,11H2,(H,12,13,18)/t4-,5-,7-,10-/m1/s1 |
| Isomeric SMILES | C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)N |
| PubChem CID | 135618591 |
| Molecular Weight | 267.24 |
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 | Purine 2'-deoxyribonucleosides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Purine 2'-deoxyribonucleosides |
| Alternative Parents | Glycosylamines 6-oxopurines Hypoxanthines Pyrimidones N-substituted imidazoles Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Azacyclic compounds Oxacyclic compounds Primary alcohols Monoalkylamines Hydrocarbon derivatives Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Purine 2'-deoxyribonucleoside - Glycosyl compound - N-glycosyl compound - 6-oxopurine - Hypoxanthine - Purinone - Purine - Imidazopyrimidine - Pyrimidone - Pyrimidine - N-substituted imidazole - Vinylogous amide - Tetrahydrofuran - Heteroaromatic compound - Azole - Imidazole - Secondary alcohol - 1,2-aminoalcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxide - Organonitrogen compound - Primary aliphatic amine - Organooxygen compound - Primary alcohol - Primary amine - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Amine - Alcohol - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as purine 2'-deoxyribonucleosides. These are compounds consisting of a purine linked to a ribose which lacks a hydroxyl group at position 2. |
| External Descriptors | Not available |
| Molecular Weight | 267.240 g/mol |
|---|---|
| XLogP3 | -1.600 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 267.097 Da |
| Monoisotopic Mass | 267.097 Da |
| Topological Polar Surface Area | 135.000 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 405.000 |
| 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 |
