3'-O-(5-Fluoro-2,4-dinitrophenyl)ATP ether
TL;DR: 3'-O-(5-Fluoro-2,4-dinitrophenyl)ATP ether (CAS 117414-71-8) is a chemical compound with molecular formula C16H17FN7O17P3 and molecular weight 690.9878 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-(5-fluoro-2,4-dinitrophenoxy)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: Fdnp-atpe, 3'-O-(5-Fluoro-2,4-dinitrophenyl)ATP ether, 3'(O)-(5-Fluoro-2,4-dinitrophenyl)adenosine triphosphate ether, 3/'-O-(5-Fluoro-2,4-dinitrophenyl)ATP ether, J1.055.606F
Technical Specifications
| Molecular Formula | C16H17FN7O17P3 |
| Molecular Weight | 690.9878 g/mol |
| XLogP | -3.6 |
| Topological Polar Surface Area (TPSA) | 360.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 10 |
| Exact Mass | 690.9878 Da |
| Heavy Atoms | 44 |
| Complexity | 1220.0 |
| SMILES | C1=C(C(=CC(=C1[N+](=O)[O-])F)O[C@@H]2[C@H](O[C@H]([C@@H]2O)N3C=NC4=C(N=CN=C43)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[N+](=O)[O-] |
| InChIKey | XNUBAOJRQSJYRM-XNIJJKJLSA-N |
Chemical Property Profile of 3'-O-(5-Fluoro-2,4-dinitrophenyl)ATP ether
Property Insights of 3'-O-(5-Fluoro-2,4-dinitrophenyl)ATP ether
The XLogP value of -3.6 indicates that 3'-O-(5-Fluoro-2,4-dinitrophenyl)ATP ether is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 360.0 Ų indicates high polarity, suggesting 3'-O-(5-Fluoro-2,4-dinitrophenyl)ATP ether may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-O-(5-Fluoro-2,4-dinitrophenyl)ATP ether has 6 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3'-O-(5-Fluoro-2,4-dinitrophenyl)ATP ether?
The CAS number of 3'-O-(5-Fluoro-2,4-dinitrophenyl)ATP ether is 117414-71-8.
What is the molecular formula of 3'-O-(5-Fluoro-2,4-dinitrophenyl)ATP ether?
The molecular formula of 3'-O-(5-Fluoro-2,4-dinitrophenyl)ATP ether is C16H17FN7O17P3.
What is the molecular weight of 3'-O-(5-Fluoro-2,4-dinitrophenyl)ATP ether?
The molecular weight of 3'-O-(5-Fluoro-2,4-dinitrophenyl)ATP ether is 690.9878 g/mol.
Where can I buy 3'-O-(5-Fluoro-2,4-dinitrophenyl)ATP ether?
You can request a quote for 3'-O-(5-Fluoro-2,4-dinitrophenyl)ATP ether directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3'-O-(5-Fluoro-2,4-dinitrophenyl)ATP ether?
Yes, CoreyChem provides custom synthesis services for 3'-O-(5-Fluoro-2,4-dinitrophenyl)ATP ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.