naphthoyl-ATP
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] naphthalene-1-carboxylate
Also Known As: Naphthoyl-ATP|3-NP-ATP|3'-O-Naphthoyladenosine 5'-triphosphate|[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] naphthalene-1-carboxylate|Adenosine 5'-(tetrahydrogen triphosphate), 3'-(1-naphthalenecarboxylate)|3'-O-(Naphthalene-1-carbonyl)adenosine 5'-(tetrahydrogen triphosphate)|[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl]oxymethyl]oxolan-3-yl] naphthalene-1-carboxylate|9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-3-O-(naphthalene-1-carbonyl)pentofuranosyl]-9H-purin-6-amine
| Molecular Formula | C21H22N5O14P3 |
|---|---|
| Molecular Weight | 661.0376 g/mol |
| LogP | -2.2 |
| Topological Polar Surface Area | 285.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 11 |
| Exact Mass | 661.0376 |
| Monoisotopic Mass | 661.0376 |
| Heavy Atoms | 43 |
| Complexity | 1160.0 |
Chemical Identifiers
| CAS Number | 76152-01-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2C(=O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=NC5=C(N=CN=C54)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O |
| InChIKey | SDHBQQJZCDASLQ-WVSUBDOOSA-N |
Product Overview
naphthoyl-ATP (CAS 76152-01-7), with molecular formula C21H22N5O14P3 and molecular weight 661.0376 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] naphthalene-1-carboxylate.