Adenosine 5'-(trihydrogen diphosphate), 2'-deoxy-, monomethyl ester
TL;DR: Adenosine 5'-(trihydrogen diphosphate), 2'-deoxy-, monomethyl ester (CAS 87202-48-0) is a chemical compound with molecular formula C11H17N5O9P2 and molecular weight 425.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] methyl hydrogen phosphate
Also Known As: Adenosine 5'-(trihydrogen diphosphate), 2'-deoxy-, monomethyl ester, 2'-Deoxyadenosine 5'-(trihydrogen diphosphate) monomethyl ester, 2'-Deoxy-5'-O-(hydroxy{[hydroxy(methoxy)phosphoryl]oxy}phosphoryl)adenosine, [[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] methyl hydrogen phosphate
| Molecular Formula | C11H17N5O9P2 |
|---|---|
| Molecular Weight | 425.05 g/mol |
| LogP | -2.8 |
| Topological Polar Surface Area | 201.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 425.05014 |
| Heavy Atoms | 27 |
| Complexity | 629.0 |
Chemical Identifiers
| CAS Number | 87202-48-0 |
|---|---|
| SMILES | COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C(N=CN=C32)N)O |
| InChIKey | ATMQAMREPIOBKA-XLPZGREQSA-N |
Product Overview
Adenosine 5'-(trihydrogen diphosphate), 2'-deoxy-, monomethyl ester (CAS 87202-48-0), with molecular formula C11H17N5O9P2 and molecular weight 425.05 g/mol. IUPAC: [[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] methyl hydrogen phosphate.
Chemical Property Profile of Adenosine 5'-(trihydrogen diphosphate), 2'-deoxy-, monomethyl ester
Property Insights of Adenosine 5'-(trihydrogen diphosphate), 2'-deoxy-, monomethyl ester
The XLogP value of -2.8 indicates that Adenosine 5'-(trihydrogen diphosphate), 2'-deoxy-, monomethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 201.0 Ų indicates high polarity, suggesting Adenosine 5'-(trihydrogen diphosphate), 2'-deoxy-, monomethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adenosine 5'-(trihydrogen diphosphate), 2'-deoxy-, monomethyl ester has 4 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 Adenosine 5'-(trihydrogen diphosphate), 2'-deoxy-, monomethyl ester?
The CAS number of Adenosine 5'-(trihydrogen diphosphate), 2'-deoxy-, monomethyl ester is 87202-48-0.
What is the molecular formula of Adenosine 5'-(trihydrogen diphosphate), 2'-deoxy-, monomethyl ester?
The molecular formula of Adenosine 5'-(trihydrogen diphosphate), 2'-deoxy-, monomethyl ester is C11H17N5O9P2.
What is the molecular weight of Adenosine 5'-(trihydrogen diphosphate), 2'-deoxy-, monomethyl ester?
The molecular weight of Adenosine 5'-(trihydrogen diphosphate), 2'-deoxy-, monomethyl ester is 425.05 g/mol.
Where can I buy Adenosine 5'-(trihydrogen diphosphate), 2'-deoxy-, monomethyl ester?
You can request a quote for Adenosine 5'-(trihydrogen diphosphate), 2'-deoxy-, monomethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adenosine 5'-(trihydrogen diphosphate), 2'-deoxy-, monomethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Adenosine 5'-(trihydrogen diphosphate), 2'-deoxy-, monomethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.