S-adenosyl-L-methionine
[(3S)-3-amino-3-carboxypropyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium
| Molecular Formula | C15H23N6O5S+ |
|---|---|
| Molecular Weight | 399.4 g/mol |
| LogP | -3.5 |
| Topological Polar Surface Area | 184.0 A2 |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 399.14505 |
| Heavy Atoms | 27 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 485-80-3 |
|---|---|
| SMILES | C[S+](CCC(C(=O)O)N)CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O |
| InChIKey | MEFKEPWMEQBLKI-AIRLBKTGSA-O |
📖 Product Overview
S-adenosyl-L-methionine (CAS: 485-80-3) is a chemical compound with molecular formula C15H23N6O5S+ and molecular weight 399.4 g/mol. Its IUPAC systematic name is [(3S)-3-amino-3-carboxypropyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium.
MEFKEPWMEQBLKI-AIRLBKTGSA-O.
SMILES: C[S+](CCC(C(=O)O)N)CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O.
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