Adenylyl-(2'-5')-adenylyl-(2'-5')adenosine
[5-(6-aminopurin-9-yl)-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methyl [2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
Also Known As: A2'p5'A2'p5'A|Adenylyl-(2'-5')-adenylyl-(2'-5')adenosine|A2'-5'A2'-5'A|KST-1A7856|Adenosine, adenylyl-(2'-5')-adenylyl-(2'-5')-|[2-(6-aminopurin-9-yl)-5-[[[2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl][5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate|[5-(6-aminopurin-9-yl)-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methyl [2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
| Molecular Formula | C30H37N15O16P2 |
|---|---|
| Molecular Weight | 925.2018 g/mol |
| LogP | -3.61 |
| Topological Polar Surface Area | 449.22 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 29 |
| Rotatable Bonds | 14 |
| Exact Mass | 925.2018 |
| Heavy Atoms | 63 |
| Complexity | 2746.2 |
Chemical Identifiers
| CAS Number | 70062-83-8 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OC4C(C(OC4N5C=NC6=C(N=CN=C65)N)COP(=O)(O)OC7C(C(OC7N8C=NC9=C(N=CN=C98)N)CO)O)O)O)O)N |
Product Overview
Adenylyl-(2'-5')-adenylyl-(2'-5')adenosine (CAS 70062-83-8), with molecular formula C30H37N15O16P2 and molecular weight 925.2018 g/mol. IUPAC: [5-(6-aminopurin-9-yl)-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methyl [2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate.
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