Adenylyl-(3'-5')-adenosine 3'-monophosphate
TL;DR: Adenylyl-(3'-5')-adenosine 3'-monophosphate (CAS 3536-89-8) is a chemical compound with molecular formula C20H26N10O13P2 and molecular weight 676.12 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)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate
Also Known As: Adenylyl-(3'-5')-adenosine 3'-monophosphate, KST-1A4253, Adenylyl-(3a(2)a5a(2))-3a(2)-adenylic acid, 5 -O-(3 -Adenylyl)-3 -adenylic acid, (2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-2-({[{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy}(hydroxy)phosphoryl]oxy}methyl)-4-hydroxytetrahydrofuran-3-yl dihydrogen phosphate(non-preferred name)
| Molecular Formula | C20H26N10O13P2 |
|---|---|
| Molecular Weight | 676.12 g/mol |
| LogP | -6.1 |
| Topological Polar Surface Area | 341.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 10 |
| Exact Mass | 676.1156 |
| Heavy Atoms | 45 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 3536-89-8 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)OP(=O)(O)O)O)N |
| InChIKey | ABDWNIRZBUVFHC-XPWFQUROSA-N |
Product Overview
Adenylyl-(3'-5')-adenosine 3'-monophosphate (CAS 3536-89-8), with molecular formula C20H26N10O13P2 and molecular weight 676.12 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate.
Chemical Property Profile of Adenylyl-(3'-5')-adenosine 3'-monophosphate
Property Insights of Adenylyl-(3'-5')-adenosine 3'-monophosphate
The XLogP value of -6.1 indicates that Adenylyl-(3'-5')-adenosine 3'-monophosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 341.0 Ų indicates high polarity, suggesting Adenylyl-(3'-5')-adenosine 3'-monophosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adenylyl-(3'-5')-adenosine 3'-monophosphate has 8 hydrogen bond donor(s) and 21 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')-adenosine 3'-monophosphate?
The CAS number of Adenylyl-(3'-5')-adenosine 3'-monophosphate is 3536-89-8.
What is the molecular formula of Adenylyl-(3'-5')-adenosine 3'-monophosphate?
The molecular formula of Adenylyl-(3'-5')-adenosine 3'-monophosphate is C20H26N10O13P2.
What is the molecular weight of Adenylyl-(3'-5')-adenosine 3'-monophosphate?
The molecular weight of Adenylyl-(3'-5')-adenosine 3'-monophosphate is 676.12 g/mol.
Where can I buy Adenylyl-(3'-5')-adenosine 3'-monophosphate?
You can request a quote for Adenylyl-(3'-5')-adenosine 3'-monophosphate 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')-adenosine 3'-monophosphate?
Yes, KEHONG BIO provides custom synthesis services for Adenylyl-(3'-5')-adenosine 3'-monophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.