S-Adenosylmethionine disulfate ditosylate
TL;DR: S-Adenosylmethionine disulfate ditosylate (CAS 55722-12-8) is a chemical compound with molecular formula C29H42N6O19S5 and molecular weight 938.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S)-3-amino-3-carboxypropyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium;hydrogen sulfate;bis(4-methylbenzenesulfonic acid);sulfuric acid
Also Known As: Gumbaral, Samyr, Ademetionine, S-Adenosylmethionine disulfate ditosylate, S-Adenosyl-5'-L-methionine sulfate p-toluenesulfonate
| Molecular Formula | C29H42N6O19S5 |
|---|---|
| Molecular Weight | 938.11 g/mol |
| LogP | -1.08696 |
| Topological Polar Surface Area | 443.4 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 9 |
| Exact Mass | 938.11084 |
| Heavy Atoms | 59 |
| Complexity | 2299.748 |
Chemical Identifiers
| CAS Number | 55722-12-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.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.OS(=O)(=O)[O-] |
Product Overview
S-Adenosylmethionine disulfate ditosylate (CAS 55722-12-8), with molecular formula C29H42N6O19S5 and molecular weight 938.11 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;bis(4-methylbenzenesulfonic acid);sulfuric acid.
Chemical Property Profile of S-Adenosylmethionine disulfate ditosylate
Property Insights of S-Adenosylmethionine disulfate ditosylate
The XLogP value of -1.08696 indicates that S-Adenosylmethionine disulfate ditosylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 443.4 Ų indicates high polarity, suggesting S-Adenosylmethionine disulfate ditosylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S-Adenosylmethionine disulfate ditosylate has 10 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-Adenosylmethionine disulfate ditosylate?
The CAS number of S-Adenosylmethionine disulfate ditosylate is 55722-12-8.
What is the molecular formula of S-Adenosylmethionine disulfate ditosylate?
The molecular formula of S-Adenosylmethionine disulfate ditosylate is C29H42N6O19S5.
What is the molecular weight of S-Adenosylmethionine disulfate ditosylate?
The molecular weight of S-Adenosylmethionine disulfate ditosylate is 938.11 g/mol.
Where can I buy S-Adenosylmethionine disulfate ditosylate?
You can request a quote for S-Adenosylmethionine disulfate ditosylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Adenosylmethionine disulfate ditosylate?
Yes, KEHONG BIO provides custom synthesis services for S-Adenosylmethionine disulfate ditosylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.