9-beta-Xylofuranosyladenine 5'-triphosphate
[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: Xylosyl-ATP|Xylo-ATP|Adenosine triphosphate|adenosin-5'-triphosphat|adenosine-5'-triphosphate|9-beta-Xylofuranosyladenine 5'-triphosphate|[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate|9H-Purin-6-amine, 9-(5-O-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-D-xylofuranosyl)-|Adenine, 9-.beta.-D-xylofuranosyl-, 5'-(tetrahydrogen triphosphate)|9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-xylofuranosyl]-9H-purin-6-amine|9H-Purin-6-amine, 9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-.beta.-D-xylofuranosyl]-|ATP
| Molecular Formula | C10H16N5O13P3 |
|---|---|
| Molecular Weight | 506.99576 g/mol |
| LogP | -1.629 |
| Topological Polar Surface Area | 279.13 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 506.99576 |
| Monoisotopic Mass | 506.99576 |
| Heavy Atoms | 31 |
| Complexity | 1104.7844 |
Chemical Identifiers
| CAS Number | 653-60-1 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N |
Product Overview
9-beta-Xylofuranosyladenine 5'-triphosphate (CAS 653-60-1), with molecular formula C10H16N5O13P3 and molecular weight 506.99576 g/mol. IUPAC: [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.