Tubercidin-5'-diphosphate
[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Also Known As: TuDP|Tubercidin-5'-diphosphate|7-Deazaadenosine-5'-Diphosphate|7-CH-ADP / 5'-TuDP|[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate|7- Deazaadenosine- 5'- O- diphosphate, sodium salt|[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-d|7H-Pyrrolo(2,3-d)pyrimidin-4-amine, 7-(5-O-(hydroxy(phosphonooxy)phosphinyl)-beta-D-ribofuranosyl)-|7-{5-O-[Hydroxy(phosphonooxy)phosphoryl]-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine|7DD
| Molecular Formula | C11H16N4O10P2 |
|---|---|
| Molecular Weight | 426.03418 g/mol |
| LogP | -1.141 |
| Topological Polar Surface Area | 219.71 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.03418 |
| Monoisotopic Mass | 426.03418 |
| Heavy Atoms | 27 |
| Complexity | 931.00806 |
Chemical Identifiers
| CAS Number | 21080-53-5 |
|---|---|
| SMILES | C1=CN(C2=NC=NC(=C21)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O |
Product Overview
Tubercidin-5'-diphosphate (CAS 21080-53-5), with molecular formula C11H16N4O10P2 and molecular weight 426.03418 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate.
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