Adenosine, 5'-(3-pyridinecarboxylate)
[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl pyridine-3-carboxylate
Also Known As: Amn trihydrate|Adenosine, 5'-nicotinate|Adenosine-5'-nicotinate|Adenosine 5'-mononicotinate|Adenosine-5'-mononicotinate|Adenosine, 5'-(3-pyridinecarboxylate)|[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl pyridine-3-carboxylate|9-[5-o-(pyridin-3-ylcarbonyl)pentofuranosyl]-9h-purin-6-amine|9-[5-O-(Pyridine-3-carbonyl)pentofuranosyl]-9H-purin-6-amine
CAS: 17331-53-2
| Molecular Formula | C16H16N6O5 |
|---|---|
| Molecular Weight | 372.11823 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.11823 |
| Monoisotopic Mass | 372.11823 |
| Heavy Atoms | 27 |
| Complexity | 541.0 |
Chemical Identifiers
| CAS Number | 17331-53-2 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)O |
| InChIKey | VGCXTXVOZXMMDR-UHFFFAOYSA-N |
Product Overview
Adenosine, 5'-(3-pyridinecarboxylate) (CAS 17331-53-2), with molecular formula C16H16N6O5 and molecular weight 372.11823 g/mol. IUPAC: [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl pyridine-3-carboxylate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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