Adenylyl-(3'-5')-adenylyl-(3'-5')-adenylyl-(3'-5')-adenosine
TL;DR: Adenylyl-(3'-5')-adenylyl-(3'-5')-adenylyl-(3'-5')-adenosine (CAS 4042-12-0) is a chemical compound with molecular formula C40H49N20O22P3 and molecular weight 1254.25 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-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
Also Known As: (AP)3A, Adenylyl-(3'-5')-adenylyl-(3'-5')-adenylyl-(3'-5')-adenosine, J1.246.066J, Adenosine, adenylyl-(3'-5')-adenylyl-(3'-5')-adenylyl-(3'-5')-, 3 -O-[3 -O-[3 -O-(5 -Adenylyl)-5 -adenylyl]-5 -adenylyl]adenosine
| Molecular Formula | C40H49N20O22P3 |
|---|---|
| Molecular Weight | 1254.25 g/mol |
| LogP | -10.1 |
| Topological Polar Surface Area | 604.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 38 |
| Rotatable Bonds | 20 |
| Exact Mass | 1254.2543 |
| Heavy Atoms | 85 |
| Complexity | 2470.0 |
Chemical Identifiers
| CAS Number | 4042-12-0 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@H](O[C@H]([C@@H]4O)N5C=NC6=C(N=CN=C65)N)COP(=O)(O)O[C@@H]7[C@H](O[C@H]([C@@H]7O)N8C=NC9=C(N=CN=C98)N)COP(=O)(O)O[C@@H]1[C@H](O[C@H]([C@@H]1O)N1C=NC2=C(N=CN=C21)N)CO)O)O)N |
| InChIKey | FBZOCUXKRQGNFK-HKIDEBSPSA-N |
Product Overview
Adenylyl-(3'-5')-adenylyl-(3'-5')-adenylyl-(3'-5')-adenosine (CAS 4042-12-0), with molecular formula C40H49N20O22P3 and molecular weight 1254.25 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate.
Chemical Property Profile of Adenylyl-(3'-5')-adenylyl-(3'-5')-adenylyl-(3'-5')-adenosine
Property Insights of Adenylyl-(3'-5')-adenylyl-(3'-5')-adenylyl-(3'-5')-adenosine
The XLogP value of -10.1 indicates that Adenylyl-(3'-5')-adenylyl-(3'-5')-adenylyl-(3'-5')-adenosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 604.0 Ų indicates high polarity, suggesting Adenylyl-(3'-5')-adenylyl-(3'-5')-adenylyl-(3'-5')-adenosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adenylyl-(3'-5')-adenylyl-(3'-5')-adenylyl-(3'-5')-adenosine has 13 hydrogen bond donor(s) and 38 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Adenylyl-(3'-5')-adenylyl-(3'-5')-adenylyl-(3'-5')-adenosine?
The CAS number of Adenylyl-(3'-5')-adenylyl-(3'-5')-adenylyl-(3'-5')-adenosine is 4042-12-0.
What is the molecular formula of Adenylyl-(3'-5')-adenylyl-(3'-5')-adenylyl-(3'-5')-adenosine?
The molecular formula of Adenylyl-(3'-5')-adenylyl-(3'-5')-adenylyl-(3'-5')-adenosine is C40H49N20O22P3.
What is the molecular weight of Adenylyl-(3'-5')-adenylyl-(3'-5')-adenylyl-(3'-5')-adenosine?
The molecular weight of Adenylyl-(3'-5')-adenylyl-(3'-5')-adenylyl-(3'-5')-adenosine is 1254.25 g/mol.
Where can I buy Adenylyl-(3'-5')-adenylyl-(3'-5')-adenylyl-(3'-5')-adenosine?
You can request a quote for Adenylyl-(3'-5')-adenylyl-(3'-5')-adenylyl-(3'-5')-adenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adenylyl-(3'-5')-adenylyl-(3'-5')-adenylyl-(3'-5')-adenosine?
Yes, KEHONG BIO provides custom synthesis services for Adenylyl-(3'-5')-adenylyl-(3'-5')-adenylyl-(3'-5')-adenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.