Adenosine-5'-O-(beta,gamma-dichloromethane)triphosphate
TL;DR: Adenosine-5'-O-(beta,gamma-dichloromethane)triphosphate (CAS 81336-74-5) is a chemical compound with molecular formula C11H16Cl2N5O12P3 and molecular weight 572.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(dichlorooxyphosphorylmethyl)phosphinic acid
Also Known As: Bgd-ATP, beta,gamma-Dichloromethane-ATP, 5'-Adenylic acid, monoanhydride with (dichlorophosphonomethyl)phosphonic acid, Adenosine 5'-(beta,gamma-dichloromethylene) triphosphate, Adenosine-5'-O-(beta,gamma-dichloromethane)triphosphate
| Molecular Formula | C11H16Cl2N5O12P3 |
|---|---|
| Molecular Weight | 572.94 g/mol |
| LogP | -3.2 |
| Topological Polar Surface Area | 248.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 572.93854 |
| Heavy Atoms | 33 |
| Complexity | 839.0 |
Chemical Identifiers
| CAS Number | 81336-74-5 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(CP(=O)(OCl)OCl)O)O)O)N |
| InChIKey | MYVOXUCRWLLKSA-IOSLPCCCSA-N |
Product Overview
Adenosine-5'-O-(beta,gamma-dichloromethane)triphosphate (CAS 81336-74-5), with molecular formula C11H16Cl2N5O12P3 and molecular weight 572.94 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(dichlorooxyphosphorylmethyl)phosphinic acid.
Chemical Property Profile of Adenosine-5'-O-(beta,gamma-dichloromethane)triphosphate
Property Insights of Adenosine-5'-O-(beta,gamma-dichloromethane)triphosphate
The XLogP value of -3.2 indicates that Adenosine-5'-O-(beta,gamma-dichloromethane)triphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 248.0 Ų indicates high polarity, suggesting Adenosine-5'-O-(beta,gamma-dichloromethane)triphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adenosine-5'-O-(beta,gamma-dichloromethane)triphosphate has 5 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Adenosine-5'-O-(beta,gamma-dichloromethane)triphosphate?
The CAS number of Adenosine-5'-O-(beta,gamma-dichloromethane)triphosphate is 81336-74-5.
What is the molecular formula of Adenosine-5'-O-(beta,gamma-dichloromethane)triphosphate?
The molecular formula of Adenosine-5'-O-(beta,gamma-dichloromethane)triphosphate is C11H16Cl2N5O12P3.
What is the molecular weight of Adenosine-5'-O-(beta,gamma-dichloromethane)triphosphate?
The molecular weight of Adenosine-5'-O-(beta,gamma-dichloromethane)triphosphate is 572.94 g/mol.
Where can I buy Adenosine-5'-O-(beta,gamma-dichloromethane)triphosphate?
You can request a quote for Adenosine-5'-O-(beta,gamma-dichloromethane)triphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adenosine-5'-O-(beta,gamma-dichloromethane)triphosphate?
Yes, KEHONG BIO provides custom synthesis services for Adenosine-5'-O-(beta,gamma-dichloromethane)triphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.