Adenylyl-(3'-5')-adenosine 3'-monophosphate
[(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: EINECS 222-574-3|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)|(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)oxolan-3-yl]oxy}(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl dihydrogen phosphate|[(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|{[(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)oxolan-3-yl]oxy}(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
| Molecular Formula | C20H26N10O13P2 |
|---|---|
| Molecular Weight | 676.1156 g/mol |
| LogP | -2.68 |
| Topological Polar Surface Area | 340.91 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 10 |
| Exact Mass | 676.1156 |
| Heavy Atoms | 45 |
| Complexity | 1803.4 |
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 |
Product Overview
Adenylyl-(3'-5')-adenosine 3'-monophosphate (CAS 3536-89-8), with molecular formula C20H26N10O13P2 and molecular weight 676.1156 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.
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