S-Adenosylmethionine-2',3'-dialdehyde
(3-amino-3-carboxypropyl)-[2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropyl]-methylsulfanium
Also Known As: S-Adenosylmethionine-2',3'-dialdehyde|KST-1A8280|(3-amino-3-carboxypropyl){2-[1-(6-amino-9h-purin-9-yl)-2-oxoethoxy]-3-oxopropyl}methylsulfonium|Sulfonium, (3-amino-3-carboxypropyl)(2-(1-(6-amino-9H-purin-9-yl)-2-oxoethoxy)-3-oxopropyl)methyl-, stereoisomer|(3-amino-3-carboxypropyl)-[2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropyl]-methylsulfanium|(3-Amino-3-carboxypropyl){2-[1-(6-amino-9H-purin-9-yl)-2-oxoethoxy]-3-oxopropyl}(methyl)sulfanium|(3-Amino-3-carboxypropyl){2-[1-(6-amino-9H-purin-9-yl)-2-oxoethoxy]-3-oxopropyl}methylsulfanium|(3-amino-4-hydroxy-4-oxobutyl)-[2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropyl]-methylsulfanium
| Molecular Formula | C15H21N6O5S+ |
|---|---|
| Molecular Weight | 397.12943 g/mol |
| LogP | -3.7 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 397.12943 |
| Monoisotopic Mass | 397.12943 |
| Heavy Atoms | 27 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 796-55-4 |
|---|---|
| SMILES | C[S+](CCC(C(=O)O)N)CC(C=O)OC(C=O)N1C=NC2=C(N=CN=C21)N |
| InChIKey | XQCQSVQZQVSOQM-UHFFFAOYSA-O |
Product Overview
S-Adenosylmethionine-2',3'-dialdehyde (CAS 796-55-4), with molecular formula C15H21N6O5S+ and molecular weight 397.12943 g/mol. IUPAC: (3-amino-3-carboxypropyl)-[2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropyl]-methylsulfanium.