beta-Methylene adenosine phosphosulfate
TL;DR: beta-Methylene adenosine phosphosulfate (CAS 120975-36-2) is a chemical compound with molecular formula C11H16N5O9PS and molecular weight 425.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methanesulfonic acid
Also Known As: beta-Methylene aps, beta-Methylene adenosine phosphosulfate, Adenosine,5'-(hydrogen (sulfomethyl)phosphonate), Adenosine, 5'-(hydrogen (sulfomethyl)phosphonate), [[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methanesulfonic acid
| Molecular Formula | C11H16N5O9PS |
|---|---|
| Molecular Weight | 425.04 g/mol |
| LogP | -4.0 |
| Topological Polar Surface Area | 229.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.04065 |
| Heavy Atoms | 27 |
| Complexity | 692.0 |
Chemical Identifiers
| CAS Number | 120975-36-2 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)C3[C@@H]([C@@H]([C@H](O3)COP(=O)(CS(=O)(=O)O)O)O)O)N |
| InChIKey | KHJWGJQWZBBXEI-YNJARDAQSA-N |
Product Overview
beta-Methylene adenosine phosphosulfate (CAS 120975-36-2), with molecular formula C11H16N5O9PS and molecular weight 425.04 g/mol. IUPAC: [[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methanesulfonic acid.
Chemical Property Profile of beta-Methylene adenosine phosphosulfate
Property Insights of beta-Methylene adenosine phosphosulfate
The XLogP value of -4.0 indicates that beta-Methylene adenosine phosphosulfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 229.0 Ų indicates high polarity, suggesting beta-Methylene adenosine phosphosulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-Methylene adenosine phosphosulfate has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of beta-Methylene adenosine phosphosulfate?
The CAS number of beta-Methylene adenosine phosphosulfate is 120975-36-2.
What is the molecular formula of beta-Methylene adenosine phosphosulfate?
The molecular formula of beta-Methylene adenosine phosphosulfate is C11H16N5O9PS.
What is the molecular weight of beta-Methylene adenosine phosphosulfate?
The molecular weight of beta-Methylene adenosine phosphosulfate is 425.04 g/mol.
Where can I buy beta-Methylene adenosine phosphosulfate?
You can request a quote for beta-Methylene adenosine phosphosulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Methylene adenosine phosphosulfate?
Yes, KEHONG BIO provides custom synthesis services for beta-Methylene adenosine phosphosulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.