TL;DR: 4-Azido-2-nitrophenyl pyrophosphate (CAS 123883-88-5) is a chemical compound with molecular formula C6H6N4O9P2 and molecular weight 339.961 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-azido-2-nitrophenyl) phosphono hydrogen phosphate
Also Known As: Azido-ppi, 4-Azido-2-nitrophenyl pyrophosphate, Mono(4-azido-2-nitrophenyl) diphosphate, 4-Azido-2-nitrophenyl trihydrogen diphosphate, (4-azido-2-nitrophenyl) phosphono hydrogen phosphate
| Molecular Formula | C6H6N4O9P2 |
| Molecular Weight | 339.961 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 173.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.961 Da |
| Heavy Atoms | 21 |
| Complexity | 537.0 |
| SMILES | C1=CC(=C(C=C1N=[N+]=[N-])[N+](=O)[O-])OP(=O)(O)OP(=O)(O)O |
| InChIKey | ZDFVFDBDGHPIRB-UHFFFAOYSA-N |
The XLogP value of -0.1 indicates that 4-Azido-2-nitrophenyl pyrophosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 173.0 Ų indicates high polarity, suggesting 4-Azido-2-nitrophenyl pyrophosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Azido-2-nitrophenyl pyrophosphate has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4-Azido-2-nitrophenyl pyrophosphate is 123883-88-5.
The molecular formula of 4-Azido-2-nitrophenyl pyrophosphate is C6H6N4O9P2.
The molecular weight of 4-Azido-2-nitrophenyl pyrophosphate is 339.961 g/mol.
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