TL;DR: Adenylyl-(3'5')-adenosine (CAS 102029-96-9) is a chemical compound with molecular formula C20H25N10O10P and molecular weight 596.1493 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
Also Known As: Adenylyl-(3'5')-adenosine, Adenosine, adenylyl-(3'?5')-, Adenylyl-(3'-5')-adenosine, ADENYLYL(3'-5')ADENOSINE, EINECS 219-239-9
| Molecular Formula | C20H25N10O10P |
| Molecular Weight | 596.1493 g/mol |
| XLogP | -5.0 |
| Topological Polar Surface Area (TPSA) | 294.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 8 |
| Exact Mass | 596.1493 Da |
| Heavy Atoms | 41 |
| Complexity | 980.0 |
| SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OC4C(OC(C4O)N5C=NC6=C(N=CN=C65)N)CO)O)O)N |
| InChIKey | UYSXBCQACJTYFS-UHFFFAOYSA-N |
The XLogP value of -5.0 indicates that Adenylyl-(3'5')-adenosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 294.0 Ų indicates high polarity, suggesting Adenylyl-(3'5')-adenosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adenylyl-(3'5')-adenosine has 7 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Adenylyl-(3'5')-adenosine is 102029-96-9.
The molecular formula of Adenylyl-(3'5')-adenosine is C20H25N10O10P.
The molecular weight of Adenylyl-(3'5')-adenosine is 596.1493 g/mol.
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