≥98%(HPLC) 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.
| Canonical Smiles | C1C2C(C(C(O2)N3C=NC4=C(N=CN=C43)NC(=O)C5=CC=CC=C5)O)OP(=O)(O1)[O-].[Na+] |
|---|---|
| IUPAC Name | sodium;N-[9-[(4aR,6R,7R,7aS)-7-hydroxy-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]purin-6-yl]benzamide |
| InChIKey | SPYGSKQRPXISIB-FKVBDRBCSA-M |
| INCHI | 1S/C17H16N5O7P.Na/c23-12-13-10(6-27-30(25,26)29-13)28-17(12)22-8-20-11-14(18-7-19-15(11)22)21-16(24)9-4-2-1-3-5-9;/h1-5,7-8,10,12-13,17,23H,6H2,(H,25,26)(H,18,19,21,24);/q;+1/p-1/t10-,12-,13-,17-;/m1./s1 |
| Isomeric SMILES | C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)NC(=O)C5=CC=CC=C5)O)OP(=O)(O1)[O-].[Na+] |
| Molecular Weight | 455.29 |
| Reaxy-Rn | 26171637 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26171637&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 nucleotides |
| Subclass | Cyclic purine nucleotides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 3',5'-cyclic purine nucleotides |
| Alternative Parents | Pentose phosphates Glycosylamines Monosaccharide phosphates Benzamides Purines and purine derivatives Benzoyl derivatives Pyrimidines and pyrimidine derivatives Imidolactams N-substituted imidazoles Organic phosphoric acids and derivatives Oxolanes Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Oxacyclic compounds Azacyclic compounds Organic zwitterions Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic sodium salts |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 3',5'-cyclic purine ribonucleotide - Pentose phosphate - Glycosyl compound - N-glycosyl compound - Monosaccharide phosphate - Benzamide - Purine - Benzoic acid or derivatives - Imidazopyrimidine - Benzoyl - Imidolactam - N-substituted imidazole - Benzenoid - Organic phosphoric acid derivative - Pyrimidine - Monocyclic benzene moiety - Monosaccharide - Azole - Heteroaromatic compound - Imidazole - Oxolane - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Oxacycle - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Organic zwitterion - Organonitrogen compound - Organic salt - Alcohol - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organic sodium salt - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 3',5'-cyclic purine nucleotides. These are purine nucleotides in which the oxygen atoms linked to the C3 and C5 carbon atoms of the ribose moiety are both bonded the same phosphorus atom of the phosphate group. |
| External Descriptors | Not available |
| Solubility | Solvent:water, Max Conc. mg/mL: 45.53, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 455.300 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 3 |
| Exact Mass | 455.061 Da |
| Monoisotopic Mass | 455.061 Da |
| Topological Polar Surface Area | 161.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 716.000 |
| 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 | 2 |
