S-Adenosylethionine
2-amino-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-ethylsulfonio]butanoate
Also Known As: S-Adenosylethionine|Glycerol propionate|Adenosine, 5'-((3-amino-3-carboxypropyl)ethylsulfonio)-5'-deoxy-, hydroxide, inner salt|2-amino-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-ethylsulfonio]butanoate|2-Amino-4-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl](ethyl)sulfaniumyl}butanoate|2-Amino-4-{[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl](ethyl)sulfaniumyl}butanoate
| Molecular Formula | C15H22N6O5S |
|---|---|
| Molecular Weight | 398.13724 g/mol |
| LogP | -2.9093 |
| Topological Polar Surface Area | 185.46 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.13724 |
| Monoisotopic Mass | 398.13724 |
| Heavy Atoms | 27 |
| Complexity | 819.09143 |
Chemical Identifiers
| CAS Number | 26892-00-2 |
|---|---|
| SMILES | CC[S+](CCC(C(=O)[O-])N)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O |
Product Overview
S-Adenosylethionine (CAS 26892-00-2), with molecular formula C15H22N6O5S and molecular weight 398.13724 g/mol. IUPAC: 2-amino-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-ethylsulfonio]butanoate.
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