≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged 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.
3-Acetylpyridine hypoxanthine dinucleotide is an analogue of nicotinamide adenine dinucleotide (NAD) which may be used in mechanistic studies of NAD-dependent enzymes and enzymes that act upon NAD itself.
| Canonical Smiles | CC(=O)C1=C[N+](=CC=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O |
|---|---|
| IUPAC Name | [(2R,3S,4R,5R)-5-(3-acetylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate |
| InChIKey | KPVQNXLUPNWQHM-RBEMOOQDSA-N |
| INCHI | 1S/C22H28N6O14P2/c1-10(29)11-3-2-4-27(5-11)21-17(32)15(30)12(40-21)6-38-43(34,35)42-44(36,37)39-7-13-16(31)18(33)22(41-13)28-9-26-14-19(23)24-8-25-20(14)28/h2-5,8-9,12-13,15-18,21-22,30-33H,6-7H2,1H3,(H3-,23,24,25,34,35,36,37)/t12-,13-,15-,16-,17-,18-,21-,22-/m1/s1 |
| Isomeric SMILES | CC(=O)C1=C[N+](=CC=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O |
| Molecular Weight | 662.44 |
| Reaxy-Rn | 25843951 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25843951&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 | (5'->5')-dinucleotides |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | (5'->5')-dinucleotides |
| Alternative Parents | Purine nucleotide sugars Purine ribonucleoside diphosphates Purine ribonucleoside monophosphates Pyridine nucleotides Pentose phosphates Glycosylamines Organic pyrophosphates Monosaccharide phosphates 6-aminopurines Aryl alkyl ketones Monoalkyl phosphates Aminopyrimidines and derivatives Pyridinium derivatives N-substituted imidazoles Imidolactams Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | (5'->5')-dinucleotide - Purine nucleotide sugar - Purine ribonucleoside diphosphate - Purine ribonucleoside monophosphate - Pyridine nucleotide - Pentose-5-phosphate - Pentose phosphate - N-glycosyl compound - Glycosyl compound - Organic pyrophosphate - Monosaccharide phosphate - 6-aminopurine - Purine - Imidazopyrimidine - Aryl alkyl ketone - Aryl ketone - Monoalkyl phosphate - Aminopyrimidine - Imidolactam - Alkyl phosphate - Pyrimidine - Pyridinium - Pyridine - Phosphoric acid ester - Organic phosphoric acid derivative - N-substituted imidazole - Monosaccharide - Heteroaromatic compound - Vinylogous amide - Tetrahydrofuran - Imidazole - Azole - Secondary alcohol - Ketone - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as (5'->5')-dinucleotides. These are dinucleotides where the two bases are connected via a (5'->5')-phosphodiester linkage. |
| 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 |
|---|---|---|---|
 D2623049 | Certificate of Analysis | Mar 27, 2026 | A196999 |
| D2623050 | Certificate of Analysis | Mar 27, 2026 | A196999 |
| D2623072 | Certificate of Analysis | Mar 27, 2026 | A196999 |
| D2623073 | Certificate of Analysis | Mar 27, 2026 | A196999 |
| F2404103 | Certificate of Analysis | Mar 13, 2026 | A196999 |
| F2404104 | Certificate of Analysis | Mar 13, 2026 | A196999 |
| F2404105 | Certificate of Analysis | Mar 13, 2026 | A196999 |
| J2417469 | Certificate of Analysis | Sep 12, 2024 | A196999 |
| F2404106 | Certificate of Analysis | May 17, 2024 | A196999 |
| Molecular Weight | 662.400 g/mol |
|---|---|
| XLogP3 | -5.200 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 11 |
| Exact Mass | 662.114 Da |
| Monoisotopic Mass | 662.114 Da |
| Topological Polar Surface Area | 295.000 Ų |
| Heavy Atom Count | 44 |
| Formal Charge | 0 |
| Complexity | 1120.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| 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 |
