3'-O-(5-fluoro-2,4-dinitrophenyl)ADP ether
TL;DR: 3'-O-(5-fluoro-2,4-dinitrophenyl)ADP ether (CAS 117414-72-9) is a chemical compound with molecular formula C16H16FN7O14P2 and molecular weight 613.0247 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]methyl phosphono hydrogen phosphate
Also Known As: Fdnp-ADP, 3'-O-(5-Fluoro-2,4-dinitrophenyl)ADP ether, 3'-O-(5-Fluoro-2,4-dinitrophenyl)adenosine diphosphate ether, 3/'-O-(5-Fluoro-2,4-dinitrophenyl)ADP ether, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-(5-fluoro-2,4-dinitrophenoxy)-4-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Technical Specifications
| Molecular Formula | C16H16FN7O14P2 |
| Molecular Weight | 613.0247 g/mol |
| XLogP | -2.5 |
| Topological Polar Surface Area (TPSA) | 313.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 8 |
| Exact Mass | 613.0247 Da |
| Heavy Atoms | 40 |
| Complexity | 1050.0 |
| SMILES | C1=C(C(=CC(=C1[N+](=O)[O-])F)O[C@@H]2[C@H](O[C@H]([C@@H]2O)N3[14CH]=NC4=C(N=CN=C43)N)COP(=O)(O)OP(=O)(O)O)[N+](=O)[O-] |
| InChIKey | HXFSLECKHFOJGS-PEAUNDLMSA-N |
Chemical Property Profile of 3'-O-(5-fluoro-2,4-dinitrophenyl)ADP ether
Property Insights of 3'-O-(5-fluoro-2,4-dinitrophenyl)ADP ether
The XLogP value of -2.5 indicates that 3'-O-(5-fluoro-2,4-dinitrophenyl)ADP ether is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 313.0 Ų indicates high polarity, suggesting 3'-O-(5-fluoro-2,4-dinitrophenyl)ADP ether may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-O-(5-fluoro-2,4-dinitrophenyl)ADP ether has 5 hydrogen bond donor(s) and 19 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)ADP ether?
The CAS number of 3'-O-(5-fluoro-2,4-dinitrophenyl)ADP ether is 117414-72-9.
What is the molecular formula of 3'-O-(5-fluoro-2,4-dinitrophenyl)ADP ether?
The molecular formula of 3'-O-(5-fluoro-2,4-dinitrophenyl)ADP ether is C16H16FN7O14P2.
What is the molecular weight of 3'-O-(5-fluoro-2,4-dinitrophenyl)ADP ether?
The molecular weight of 3'-O-(5-fluoro-2,4-dinitrophenyl)ADP ether is 613.0247 g/mol.
Where can I buy 3'-O-(5-fluoro-2,4-dinitrophenyl)ADP ether?
You can request a quote for 3'-O-(5-fluoro-2,4-dinitrophenyl)ADP 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)ADP ether?
Yes, CoreyChem provides custom synthesis services for 3'-O-(5-fluoro-2,4-dinitrophenyl)ADP ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.