O(2',3')-(2,4,6-Trinitrophenyl)-8-azidoadenosine triphosphate
TL;DR: O(2',3')-(2,4,6-Trinitrophenyl)-8-azidoadenosine triphosphate (CAS 120218-67-9) is a chemical compound with molecular formula C16H15N11O19P3- and molecular weight 757.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,4R,6R,6aR)-4-(6-amino-8-azidopurin-9-yl)-1',2',4'-trinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methyl [hydroxy(phosphonooxy)phosphoryl] phosphate
Also Known As: 2,3-Tpaatp, Tnp-8-azido-ATP, 2',3'-O-(2,4,6-Trinitrophenyl) 8-azido-ATP, O(2',3')-(2,4,6-Trinitrophenyl)-8-azidoadenosine triphosphate, [(3aR,4R,6R,6aR)-4-(6-amino-8-azidopurin-9-yl)-1',2',4'-trinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methyl [hydroxy(phosphonooxy)phosphoryl] phosphate
| Molecular Formula | C16H15N11O19P3- |
|---|---|
| Molecular Weight | 757.98 g/mol |
| LogP | -0.2314 |
| Topological Polar Surface Area | 438.14 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 12 |
| Exact Mass | 757.9758 |
| Heavy Atoms | 49 |
| Complexity | 2041.1461 |
Chemical Identifiers
| CAS Number | 120218-67-9 |
|---|---|
| SMILES | C1C(=CC(=C(C12O[C@@H]3[C@H](O[C@H]([C@@H]3O2)N4C5=NC=NC(=C5N=C4N=[N+]=[N-])N)COP(=O)([O-])OP(=O)(O)OP(=O)(O)O)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
O(2',3')-(2,4,6-Trinitrophenyl)-8-azidoadenosine triphosphate (CAS 120218-67-9), with molecular formula C16H15N11O19P3- and molecular weight 757.98 g/mol. IUPAC: [(3aR,4R,6R,6aR)-4-(6-amino-8-azidopurin-9-yl)-1',2',4'-trinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methyl [hydroxy(phosphonooxy)phosphoryl] phosphate.
Chemical Property Profile of O(2',3')-(2,4,6-Trinitrophenyl)-8-azidoadenosine triphosphate
Property Insights of O(2',3')-(2,4,6-Trinitrophenyl)-8-azidoadenosine triphosphate
The XLogP value of -0.2314 indicates that O(2',3')-(2,4,6-Trinitrophenyl)-8-azidoadenosine triphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 438.14 Ų indicates high polarity, suggesting O(2',3')-(2,4,6-Trinitrophenyl)-8-azidoadenosine triphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, O(2',3')-(2,4,6-Trinitrophenyl)-8-azidoadenosine triphosphate has 4 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of O(2',3')-(2,4,6-Trinitrophenyl)-8-azidoadenosine triphosphate?
The CAS number of O(2',3')-(2,4,6-Trinitrophenyl)-8-azidoadenosine triphosphate is 120218-67-9.
What is the molecular formula of O(2',3')-(2,4,6-Trinitrophenyl)-8-azidoadenosine triphosphate?
The molecular formula of O(2',3')-(2,4,6-Trinitrophenyl)-8-azidoadenosine triphosphate is C16H15N11O19P3-.
What is the molecular weight of O(2',3')-(2,4,6-Trinitrophenyl)-8-azidoadenosine triphosphate?
The molecular weight of O(2',3')-(2,4,6-Trinitrophenyl)-8-azidoadenosine triphosphate is 757.98 g/mol.
Where can I buy O(2',3')-(2,4,6-Trinitrophenyl)-8-azidoadenosine triphosphate?
You can request a quote for O(2',3')-(2,4,6-Trinitrophenyl)-8-azidoadenosine triphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O(2',3')-(2,4,6-Trinitrophenyl)-8-azidoadenosine triphosphate?
Yes, KEHONG BIO provides custom synthesis services for O(2',3')-(2,4,6-Trinitrophenyl)-8-azidoadenosine triphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.