TL;DR: 8-azido-2'-O-dansyladenosine triphosphate (CAS 121258-46-6) is a chemical compound with molecular formula C22H26N9O15P3S and molecular weight 781.0482 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3R,4R,5R)-2-(6-amino-8-azidopurin-9-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 5-(dimethylamino)naphthalene-1-sulfonate
Also Known As: 8-Azido-2'-O-dansyl-ATP, 8-Azido-2'-O-dansyladenosine triphosphate, 8-azido-2/'-O-dansyladenosine triphosphate, [(3R,4R,5R)-2-(6-amino-8-azidopurin-9-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 5-(dimethylamino)naphthalene-1-sulfonate, [(3r,4r,5r)-2-(6-amino-8-azidopurin-9-yl)-4-hydroxy-5-[[hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl]oxymethyl]oxolan-3-yl] 5-dimethylaminonaphthalene-1-sulfonate
| Molecular Formula | C22H26N9O15P3S |
| Molecular Weight | 781.0482 g/mol |
| XLogP | -1.4 |
| Topological Polar Surface Area (TPSA) | 328.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 13 |
| Exact Mass | 781.0482 Da |
| Heavy Atoms | 50 |
| Complexity | 1530.0 |
| SMILES | CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)O[C@@H]3[C@@H]([C@H](OC3N4C5=NC=NC(=C5N=C4N=[N+]=[N-])N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O |
| InChIKey | XFKGXLVNEAKEQS-ABLYXCJOSA-N |
The XLogP value of -1.4 indicates that 8-azido-2'-O-dansyladenosine triphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 328.0 Ų indicates high polarity, suggesting 8-azido-2'-O-dansyladenosine triphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8-azido-2'-O-dansyladenosine triphosphate has 6 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 8-azido-2'-O-dansyladenosine triphosphate is 121258-46-6.
The molecular formula of 8-azido-2'-O-dansyladenosine triphosphate is C22H26N9O15P3S.
The molecular weight of 8-azido-2'-O-dansyladenosine triphosphate is 781.0482 g/mol.
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