Adenosine monophosphate-adenosine
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
Also Known As: Adenosine monophosphate-adenosine|AP-A|KST-1A3703|Adenosine 5'-(trihydrogen diphosphate), 5'-5'-ester with adenosine|[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate|[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl(2r,3r,4r,5r)-2-(6-amino-9h-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl dihydrogen diphosphate(non-preferred name)
| Molecular Formula | C20H26N10O13P2 |
|---|---|
| Molecular Weight | 676.1156 g/mol |
| LogP | -5.5 |
| Topological Polar Surface Area | 341.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 10 |
| Exact Mass | 676.1156 |
| Monoisotopic Mass | 676.1156 |
| Heavy Atoms | 45 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 31349-23-2 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=NC6=C(N=CN=C65)N)CO)O)O)O)N |
| InChIKey | WCHSQACWYIQTKL-XPWFQUROSA-N |
Product Overview
Adenosine monophosphate-adenosine (CAS 31349-23-2), with molecular formula C20H26N10O13P2 and molecular weight 676.1156 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate.