8-(chloroacetylaminoethylthio)cyclic AMP
[(2R,3S,4R,5R)-5-[6-amino-8-[(E)-2-[(2-chloroacetyl)amino]ethenyl]sulfanylpurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Also Known As: 8-Caet-camp|8-(Chloroacetylaminoethylthio)cyclic amp|[(2R,3S,4R,5R)-5-[6-amino-8-[(E)-2-[(2-chloroacetyl)amino]ethenyl]sulfanylpurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate|Adenosine, 8-((2-((chloroacetyl)amino)ethyl)thio)-, cyclic 3',5'-(hydrogen phosphate)
| Molecular Formula | C14H18ClN6O8PS |
|---|---|
| Molecular Weight | 496.0333 g/mol |
| LogP | -0.9447 |
| Topological Polar Surface Area | 215.17 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.0333 |
| Monoisotopic Mass | 496.0333 |
| Heavy Atoms | 31 |
| Complexity | 1033.6444 |
Chemical Identifiers
| CAS Number | 65259-76-9 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C(=N2)S/C=C/NC(=O)CCl)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N |
Product Overview
8-(chloroacetylaminoethylthio)cyclic AMP (CAS 65259-76-9), with molecular formula C14H18ClN6O8PS and molecular weight 496.0333 g/mol. IUPAC: [(2R,3S,4R,5R)-5-[6-amino-8-[(E)-2-[(2-chloroacetyl)amino]ethenyl]sulfanylpurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate.
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