S-(5'-deoxy-5'-adenosyl)-1-ammonio-4-(methylsulfonio)-2-cyclopentene
TL;DR: S-(5'-deoxy-5'-adenosyl)-1-ammonio-4-(methylsulfonio)-2-cyclopentene (CAS 142697-76-5) is a chemical compound with molecular formula C16H26N6O12S3 and molecular weight 590.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-aminocyclopent-2-en-1-yl)-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-hydroxymethyl]-methylsulfanium;hydrogen sulfate;sulfuric acid
Also Known As: Adomac, Adomac disulfate, Adomac disulfate (1R(-)-(1alpha,4beta))-, Adomac disulfate (1S(-)-(1alpha,4alpha))-, S-(5'-Deoxy-5'-adenosyl)-1-ammonio-4-(methylsulfonio)-2-cyclopentene
| Molecular Formula | C16H26N6O12S3 |
|---|---|
| Molecular Weight | 590.08 g/mol |
| LogP | -3.3982 |
| Topological Polar Surface Area | 317.59 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 4 |
| Exact Mass | 590.0771 |
| Heavy Atoms | 37 |
| Complexity | 1259.8131 |
Chemical Identifiers
| CAS Number | 142697-76-5 |
|---|---|
| SMILES | C[S+](C1CC(C=C1)N)C([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)O.OS(=O)(=O)O.OS(=O)(=O)[O-] |
Product Overview
S-(5'-deoxy-5'-adenosyl)-1-ammonio-4-(methylsulfonio)-2-cyclopentene (CAS 142697-76-5), with molecular formula C16H26N6O12S3 and molecular weight 590.08 g/mol. IUPAC: (4-aminocyclopent-2-en-1-yl)-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-hydroxymethyl]-methylsulfanium;hydrogen sulfate;sulfuric acid.
Chemical Property Profile of S-(5'-deoxy-5'-adenosyl)-1-ammonio-4-(methylsulfonio)-2-cyclopentene
Property Insights of S-(5'-deoxy-5'-adenosyl)-1-ammonio-4-(methylsulfonio)-2-cyclopentene
The XLogP value of -3.3982 indicates that S-(5'-deoxy-5'-adenosyl)-1-ammonio-4-(methylsulfonio)-2-cyclopentene is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 317.59 Ų indicates high polarity, suggesting S-(5'-deoxy-5'-adenosyl)-1-ammonio-4-(methylsulfonio)-2-cyclopentene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S-(5'-deoxy-5'-adenosyl)-1-ammonio-4-(methylsulfonio)-2-cyclopentene has 8 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-(5'-deoxy-5'-adenosyl)-1-ammonio-4-(methylsulfonio)-2-cyclopentene?
The CAS number of S-(5'-deoxy-5'-adenosyl)-1-ammonio-4-(methylsulfonio)-2-cyclopentene is 142697-76-5.
What is the molecular formula of S-(5'-deoxy-5'-adenosyl)-1-ammonio-4-(methylsulfonio)-2-cyclopentene?
The molecular formula of S-(5'-deoxy-5'-adenosyl)-1-ammonio-4-(methylsulfonio)-2-cyclopentene is C16H26N6O12S3.
What is the molecular weight of S-(5'-deoxy-5'-adenosyl)-1-ammonio-4-(methylsulfonio)-2-cyclopentene?
The molecular weight of S-(5'-deoxy-5'-adenosyl)-1-ammonio-4-(methylsulfonio)-2-cyclopentene is 590.08 g/mol.
Where can I buy S-(5'-deoxy-5'-adenosyl)-1-ammonio-4-(methylsulfonio)-2-cyclopentene?
You can request a quote for S-(5'-deoxy-5'-adenosyl)-1-ammonio-4-(methylsulfonio)-2-cyclopentene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(5'-deoxy-5'-adenosyl)-1-ammonio-4-(methylsulfonio)-2-cyclopentene?
Yes, KEHONG BIO provides custom synthesis services for S-(5'-deoxy-5'-adenosyl)-1-ammonio-4-(methylsulfonio)-2-cyclopentene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.