≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 | 504773373 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504773373 |
| Canonical Smiles | C=C1C(CC(C1CO)O)N2C=NC3=C2N=C(NC3=O)N.O |
| IUPAC Name | 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one;hydrate |
| InChIKey | YXPVEXCTPGULBZ-WQYNNSOESA-N |
| INCHI | 1S/C12H15N5O3.H2O/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20;/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20);1H2/t6-,7-,8-;/m0./s1 |
| Isomeric SMILES | C=C1[C@H](C[C@@H]([C@H]1CO)O)N2C=NC3=C2N=C(NC3=O)N.O |
| Molecular Weight | 295.29 |
| Reaxy-Rn | 37080778 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37080778&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 | Nucleoside and nucleotide analogues |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nucleoside and nucleotide analogues |
| Alternative Parents | Hypoxanthines 6-oxopurines Pyrimidones Aminopyrimidines and derivatives N-substituted imidazoles Cyclopentanols Vinylogous amides Heteroaromatic compounds Cyclic alcohols and derivatives Azacyclic compounds Primary amines Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 6-oxopurine - Hypoxanthine - Purinone - Purine - Imidazopyrimidine - Aminopyrimidine - Pyrimidone - Cyclopentanol - Pyrimidine - N-substituted imidazole - Azole - Cyclic alcohol - Heteroaromatic compound - Imidazole - Vinylogous amide - Secondary alcohol - Azacycle - Organoheterocyclic compound - Primary alcohol - Primary amine - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as nucleoside and nucleotide analogues. These are analogues of nucleosides and nucleotides. These include phosphonated nucleosides, C-glycosylated nucleoside bases, analogues where the sugar unit is a pyranose, and carbocyclic nucleosides, among others. |
| External Descriptors | hydrate |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2624012 | Certificate of Analysis | Apr 07, 2026 | E129807 |
| B2225302 | Certificate of Analysis | Sep 09, 2025 | E129807 |
| B2225304 | Certificate of Analysis | Sep 09, 2025 | E129807 |
| B2225313 | Certificate of Analysis | Sep 09, 2025 | E129807 |
| K2110743 | Certificate of Analysis | May 09, 2025 | E129807 |
| K2110749 | Certificate of Analysis | Aug 16, 2023 | E129807 |
| F1918052 | Certificate of Analysis | Feb 03, 2023 | E129807 |
| Solubility | DMSO 59 mg/mL Water <1 mg/mL Ethanol <1 mg/mL |
|---|---|
| Specific Rotation[α] | 36° (C=0.25,H2O) |
| Melt Point(°C) | 259 °C(dec.) |
| Molecular Weight | 295.290 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 295.128 Da |
| Monoisotopic Mass | 295.128 Da |
| Topological Polar Surface Area | 127.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 480.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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 | 2 |
