5'-Adenylic acid, 2-(pentylthio)-
[(2R,3S,4R,5R)-5-(6-amino-2-pentylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Also Known As: 5'-Adenylic acid, 2-(pentylthio)-|Pyrrolidine,1-(1,4-pentadienyl)|2-(Pentylthio)adenosine 5 -phosphoric acid|2-(Pentylsulfanyl)adenosine 5'-(dihydrogen phosphate)|((2R,3S,4R,5R)-5-(6-Amino-2-(pentylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate|[(2R,3S,4R,5R)-5-(6-amino-2-pentylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate|{[(2R,3S,4R,5R)-5-[6-amino-2-(pentylsulfanyl)-9H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
| Molecular Formula | C15H24N5O7PS |
|---|---|
| Molecular Weight | 449.1134 g/mol |
| LogP | 0.4193 |
| Topological Polar Surface Area | 186.07 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 449.1134 |
| Monoisotopic Mass | 449.1134 |
| Heavy Atoms | 29 |
| Complexity | 893.3076 |
Chemical Identifiers
| CAS Number | 58576-75-3 |
|---|---|
| SMILES | CCCCCSC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N |
Product Overview
5'-Adenylic acid, 2-(pentylthio)- (CAS 58576-75-3), with molecular formula C15H24N5O7PS and molecular weight 449.1134 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(6-amino-2-pentylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate.