Adenosine 5'-phosphoroimidazolide
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-imidazol-1-ylphosphinic acid
Also Known As: Adenosine 5'-phosphoroimidazolide|adenosine5'-phosphoroimidazolide|1-(5 -Adenylyl)-1H-imidazole|5'-o-[hydroxy(1h-imidazol-1-yl)phosphoryl]adenosine|Adenosine, 5'-(hydrogen 1H-imidazol-1-ylphosphonate)|[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-imidazol-1-ylphosphinic acid|Adenosine 5 -(1H-imidazole-1-yl)phosphonic acid|Adenosine 5 -[(1H-imidazole-1-yl)phosphonic acid]|5 -O-[(1H-Imidazole-1-yl)hydroxyphosphinyl]adenosine|9-{5-O-[Hydroxy(1H-imidazol-1-yl)phosphoryl]pentofuranosyl}-9H-purin-6-amine|{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(1H-imidazol-1-yl)phosphinic acid|9-[5beta-[[[(1H-Imidazole-1-yl)phosphonyl]oxy]methyl]-3alpha,4alpha-dihydroxytetrahydrofuran-2beta-yl]-9H-purine-6-amine
| Molecular Formula | C13H16N7O6P |
|---|---|
| Molecular Weight | 397.08997 g/mol |
| LogP | -2.9 |
| Topological Polar Surface Area | 184.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.08997 |
| Monoisotopic Mass | 397.08997 |
| Heavy Atoms | 27 |
| Complexity | 589.0 |
Chemical Identifiers
| CAS Number | 23723-40-2 |
|---|---|
| SMILES | C1=CN(C=N1)P(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O |
| InChIKey | ZZVDSVGETAFWNA-QYVSTXNMSA-N |
Product Overview
Adenosine 5'-phosphoroimidazolide (CAS 23723-40-2), with molecular formula C13H16N7O6P and molecular weight 397.08997 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-imidazol-1-ylphosphinic acid.