3'(2')-O-(2-Nitro-4-azidobenzoyl)adenosine 5'-triphosphate
TL;DR: 3'(2')-O-(2-Nitro-4-azidobenzoyl)adenosine 5'-triphosphate (CAS 99308-34-6) is a chemical compound with molecular formula C17H18N9O16P3 and molecular weight 697.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 4-azido-2-nitrobenzoate
Also Known As: Nab-ATP, 3'(2')-O-(2-Nitro-4-azidobenzoyl)adenosine 5'-triphosphate, [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 4-azido-2-nitrobenzoate, [[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-(4-azido-2-nitro-benzoyl)oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid, 2'-O-(4-Azido-2-nitrobenzoyl)adenosine 5'-(tetrahydrogen triphosphate)
| Molecular Formula | C17H18N9O16P3 |
|---|---|
| Molecular Weight | 697.01 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 345.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 12 |
| Exact Mass | 697.0084 |
| Heavy Atoms | 45 |
| Complexity | 1310.0 |
Chemical Identifiers
| CAS Number | 99308-34-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1N=[N+]=[N-])[N+](=O)[O-])C(=O)O[C@@H]2[C@@H]([C@H](O[C@H]2N3C=NC4=C(N=CN=C43)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O |
| InChIKey | RGFOXGDHNBVDMY-XNIJJKJLSA-N |
Product Overview
3'(2')-O-(2-Nitro-4-azidobenzoyl)adenosine 5'-triphosphate (CAS 99308-34-6), with molecular formula C17H18N9O16P3 and molecular weight 697.01 g/mol. IUPAC: [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 4-azido-2-nitrobenzoate.
Chemical Property Profile of 3'(2')-O-(2-Nitro-4-azidobenzoyl)adenosine 5'-triphosphate
Property Insights of 3'(2')-O-(2-Nitro-4-azidobenzoyl)adenosine 5'-triphosphate
The XLogP value of -2.7 indicates that 3'(2')-O-(2-Nitro-4-azidobenzoyl)adenosine 5'-triphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 345.0 Ų indicates high polarity, suggesting 3'(2')-O-(2-Nitro-4-azidobenzoyl)adenosine 5'-triphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'(2')-O-(2-Nitro-4-azidobenzoyl)adenosine 5'-triphosphate has 6 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3'(2')-O-(2-Nitro-4-azidobenzoyl)adenosine 5'-triphosphate?
The CAS number of 3'(2')-O-(2-Nitro-4-azidobenzoyl)adenosine 5'-triphosphate is 99308-34-6.
What is the molecular formula of 3'(2')-O-(2-Nitro-4-azidobenzoyl)adenosine 5'-triphosphate?
The molecular formula of 3'(2')-O-(2-Nitro-4-azidobenzoyl)adenosine 5'-triphosphate is C17H18N9O16P3.
What is the molecular weight of 3'(2')-O-(2-Nitro-4-azidobenzoyl)adenosine 5'-triphosphate?
The molecular weight of 3'(2')-O-(2-Nitro-4-azidobenzoyl)adenosine 5'-triphosphate is 697.01 g/mol.
Where can I buy 3'(2')-O-(2-Nitro-4-azidobenzoyl)adenosine 5'-triphosphate?
You can request a quote for 3'(2')-O-(2-Nitro-4-azidobenzoyl)adenosine 5'-triphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'(2')-O-(2-Nitro-4-azidobenzoyl)adenosine 5'-triphosphate?
Yes, KEHONG BIO provides custom synthesis services for 3'(2')-O-(2-Nitro-4-azidobenzoyl)adenosine 5'-triphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.