Deoxyadenosine-5'-tri-3'-diphosphate
[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] phosphono hydrogen phosphate
Also Known As: Deoxyadenosine-5'-tri-3'-diphosphate|[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] phosphono hydrogen phosphate|2'-deoxyadenosine 5'-(tetrahydrogen triphosphate) 3'-(trihydrogen diphosphate)|Adenosine 5'-(tetrahydrogen triphosphate), 2'-deoxy-3'-(trihydrogen diphosphate)|9-{2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-3-O-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}-9H-purin-6-amine
| Molecular Formula | C10H18N5O18P5 |
|---|---|
| Molecular Weight | 650.9335 g/mol |
| LogP | -6.4 |
| Topological Polar Surface Area | 352.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 12 |
| Exact Mass | 650.9335 |
| Monoisotopic Mass | 650.9335 |
| Heavy Atoms | 38 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 8059-32-3 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O |
| InChIKey | HCCOSUQSYWESKP-RRKCRQDMSA-N |
Product Overview
Deoxyadenosine-5'-tri-3'-diphosphate (CAS 8059-32-3), with molecular formula C10H18N5O18P5 and molecular weight 650.9335 g/mol. IUPAC: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] phosphono hydrogen phosphate.
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