≥97%(HPLC), ethanol crystallization 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
This product is purified by crystallization in ethanol, with ethanol residue of approximately ≤ 10%
| Canonical Smiles | C1=NC2=C(N1C3C(C(C(O3)COP(=O)([O-])[O-])O)O)NC(=O)NC2=O.[Na+].[Na+] |
|---|---|
| IUPAC Name | disodium;[(2R,3S,4R,5R)-5-(2,6-dioxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate |
| InChIKey | QQPVYRBCIRHGSZ-LGVAUZIVSA-L |
| INCHI | 1S/C10H13N4O9P.2Na/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17;;/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18);;/q;2*+1/p-2/t3-,5-,6-,9-;;/m1../s1 |
| Isomeric SMILES | C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O)NC(=O)NC2=O.[Na+].[Na+] |
| WGK Germany | 3 |
| Alternate CAS | 523-98-8 |
| Molecular Weight | 408.17 |
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 nucleotides |
| Subclass | Purine ribonucleotides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Purine ribonucleoside monophosphates |
| Alternative Parents | Pentose phosphates Xanthines Glycosylamines 6-oxopurines Monosaccharide phosphates Alkaloids and derivatives Pyrimidones Alkyl phosphates N-substituted imidazoles Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Lactams Ureas Secondary alcohols 1,2-diols Oxacyclic compounds Azacyclic compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Organic sodium salts Organic zwitterions Organonitrogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Purine ribonucleoside monophosphate - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - Xanthine - 6-oxopurine - Monosaccharide phosphate - Pentose monosaccharide - Purinone - Imidazopyrimidine - Alkaloid or derivatives - Purine - Pyrimidone - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Vinylogous amide - Azole - Tetrahydrofuran - Heteroaromatic compound - Imidazole - Urea - Secondary alcohol - Lactam - 1,2-diol - Organoheterocyclic compound - Organic alkali metal salt - Azacycle - Oxacycle - Organic zwitterion - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organooxygen compound - Organic sodium salt - Organic salt - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 E2619289 | Certificate of Analysis | May 07, 2026 | X657485 |
| E2619291 | Certificate of Analysis | May 07, 2026 | X657485 |
| E2619292 | Certificate of Analysis | May 07, 2026 | X657485 |
| J2429601 | Certificate of Analysis | Aug 15, 2024 | X657485 |
| J2429602 | Certificate of Analysis | Aug 15, 2024 | X657485 |
| E2421246 | Certificate of Analysis | May 10, 2024 | X657485 |
| E2421247 | Certificate of Analysis | May 10, 2024 | X657485 |
| E2421254 | Certificate of Analysis | May 10, 2024 | X657485 |
| E2421255 | Certificate of Analysis | May 10, 2024 | X657485 |
| E2421294 | Certificate of Analysis | May 10, 2024 | X657485 |
| E2421295 | Certificate of Analysis | May 10, 2024 | X657485 |
| Sensitivity | Moisture sensitive |
|---|---|
| Molecular Weight | 408.170 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 3 |
| Exact Mass | 408.006 Da |
| Monoisotopic Mass | 408.006 Da |
| Topological Polar Surface Area | 198.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 573.000 |
| 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 | 3 |
| 1. Li-Xin Ma, Xu-Hui Huang, Jie Zheng, Liu Dong, Jia-Nan Chen, Xiu-Ping Dong, Da-Yong Zhou, Bei-Wei Zhu, Lei Qin. (2021) Free amino acid, 5′-Nucleotide, and lipid distribution in different tissues of blue mussel (Mytilis edulis L.) determined by mass spectrometry based metabolomics. FOOD CHEMISTRY, [PMID:34741971] [10.1016/j.foodchem.2021.131435] |
