5'-Deoxy-5'-(methylthio)adenosine

Chemical Information
5'-S-methyl-5'-thioadenosine is adenosine with the hydroxy group at C-5' substituted with a methylthio (methylsulfanyl) group. It has a role as a mouse metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite, a human metabolite and an algal metabolite. It is functionally related to an adenosine.
| CAS Number | 2457-80-9 |
| PubChem CID | 439176 |
| IUPAC Name | (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol |
| Molecular Formula | C11H15N5O3S |
| Molecular Weight | 297.34 |
| XLogP | -0.3 |
| Topological Polar Surface Area | 145 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 352 |
| Property | Value |
|---|---|
| Molecular Weight | 297.34 |
| XLogP3 | -0.3 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 297.08956053 |
| Monoisotopic Mass | 297.08956053 |
| Topological Polar Surface Area | 145 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 352 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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