AC1L4TCJ
[(3S)-3-amino-3-carboxypropyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium;hydrogen sulfate;4-methylbenzenesulfonate;sulfate
Also Known As: Ademetionine disulfate tosylate|Adenosylmethionine tosylate bis(sulfate)|FO-1561|S-Adenosyl-L-methionine sulfate tosylate|[(3S)-3-amino-4-hydroxy-4-oxobutyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium; hydrogen sulfate; 4-methylbenzenesulfonate; sulfate|Adenosine, 5'-((3-amino-3-carboxypropyl)methylsulfonio)-5'-deoxy-, (S)-, salt with 4-methylbenzenesulfonic acid, sulfate (salt) (1:1:2)
| Molecular Formula | C22H31N6O16S4-3 |
|---|---|
| Molecular Weight | 763.06793 g/mol |
| LogP | -3.35648 |
| Topological Polar Surface Area | 424.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 7 |
| Exact Mass | 763.06793 |
| Monoisotopic Mass | 763.06793 |
| Heavy Atoms | 48 |
| Complexity | 864.0 |
Chemical Identifiers
| CAS Number | 97540-22-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].C[S+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O.OS(=O)(=O)[O-].[O-]S(=O)(=O)[O-] |
| InChIKey | XDCFCHNAIMYBAZ-XQVUROGGSA-K |
Product Overview
AC1L4TCJ (CAS 97540-22-2), with molecular formula C22H31N6O16S4-3 and molecular weight 763.06793 g/mol. IUPAC: [(3S)-3-amino-3-carboxypropyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium;hydrogen sulfate;4-methylbenzenesulfonate;sulfate.