Adenosine 3'-diphosphate 5'-diphosphate
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] phosphono hydrogen phosphate
Also Known As: ppApp|adenosine 3',5'-bis(trihydrogen diphosphate)|Adenosine 3'-diphosphate 5'-diphosphate|adenosine-3',5'-bis-diphosphate|Adenosine-5'-3'(2')-bis(diphosphate)|adenosine3'-diphosphate5'-diphosphate|Adenosine 3 ,5 -bis(diphosphoric acid)|Adenosine 3'-(trihydrogen diphosphate), 5'-(trihydrogen diphosphate)|Adenosine3'-(trihydrogen diphosphate), 5'-(trihydrogen diphosphate) (9CI)|9-{3,5-Bis-O-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}-9H-purin-6-amine|(5R)-5-(6-amino-9H-purin-9-yl)-2-({[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}methyl)-4-oxo-4,5-dihydrofuran-3-yl trihydrogen diphosphate|[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-{[hydroxy(phosphonooxy)phosphoryl]oxy}oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid|[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] phosphono hydrogen phosphate|ECJ|N7Y
| Molecular Formula | C10H17N5O16P4 |
|---|---|
| Molecular Weight | 586.9621 g/mol |
| LogP | -6.8 |
| Topological Polar Surface Area | 326.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 10 |
| Exact Mass | 586.9621 |
| Monoisotopic Mass | 586.9621 |
| Heavy Atoms | 35 |
| Complexity | 961.0 |
Chemical Identifiers
| CAS Number | 339-25-3 |
|---|---|
| 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)OP(=O)(O)OP(=O)(O)O)O)N |
| InChIKey | DWZMGWMGGHNJLF-KQYNXXCUSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Adenosine 3'-diphosphate 5'-diphosphate (CAS 339-25-3), with molecular formula C10H17N5O16P4 and molecular weight 586.9621 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] phosphono hydrogen phosphate.