2',3'-O-(2,4,6-trinitrophenyl)-8-azidoadenosine monophosphate
TL;DR: 2',3'-O-(2,4,6-trinitrophenyl)-8-azidoadenosine monophosphate (CAS 120229-04-1) is a chemical compound with molecular formula C16H14N11O13P and molecular weight 599.051 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3R,4R,5R)-2-(6-amino-8-azidopurin-9-yl)-5-methyl-4-(2,4,6-trinitrophenoxy)oxolan-3-yl]oxy dihydrogen phosphate
Also Known As: 2,3-Tpaamp, 2',3'-O-(2,4,6-Trinitrophenyl)-8-azidoadenosine monophosphate, [(3R,4R,5R)-2-(6-amino-8-azidopurin-9-yl)-5-methyl-4-(2,4,6-trinitrophenoxy)oxolan-3-yl]oxy dihydrogen phosphate
Technical Specifications
| Molecular Formula | C16H14N11O13P |
| Molecular Weight | 599.051 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 316.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 7 |
| Exact Mass | 599.051 Da |
| Heavy Atoms | 41 |
| Complexity | 1080.0 |
| SMILES | C[C@@H]1[C@H]([C@H](C(O1)N2C3=NC=NC(=C3N=C2N=[N+]=[N-])N)OOP(=O)(O)O)OC4=C(C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | RJGMYABIKPHMAI-MNOXHYRFSA-N |
Chemical Property Profile of 2',3'-O-(2,4,6-trinitrophenyl)-8-azidoadenosine monophosphate
Property Insights of 2',3'-O-(2,4,6-trinitrophenyl)-8-azidoadenosine monophosphate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2',3'-O-(2,4,6-trinitrophenyl)-8-azidoadenosine monophosphate. The TPSA of 316.0 Ų indicates high polarity, suggesting 2',3'-O-(2,4,6-trinitrophenyl)-8-azidoadenosine monophosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2',3'-O-(2,4,6-trinitrophenyl)-8-azidoadenosine monophosphate has 3 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 2',3'-O-(2,4,6-trinitrophenyl)-8-azidoadenosine monophosphate?
The CAS number of 2',3'-O-(2,4,6-trinitrophenyl)-8-azidoadenosine monophosphate is 120229-04-1.
What is the molecular formula of 2',3'-O-(2,4,6-trinitrophenyl)-8-azidoadenosine monophosphate?
The molecular formula of 2',3'-O-(2,4,6-trinitrophenyl)-8-azidoadenosine monophosphate is C16H14N11O13P.
What is the molecular weight of 2',3'-O-(2,4,6-trinitrophenyl)-8-azidoadenosine monophosphate?
The molecular weight of 2',3'-O-(2,4,6-trinitrophenyl)-8-azidoadenosine monophosphate is 599.051 g/mol.
Where can I buy 2',3'-O-(2,4,6-trinitrophenyl)-8-azidoadenosine monophosphate?
You can request a quote for 2',3'-O-(2,4,6-trinitrophenyl)-8-azidoadenosine monophosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2',3'-O-(2,4,6-trinitrophenyl)-8-azidoadenosine monophosphate?
Yes, CoreyChem provides custom synthesis services for 2',3'-O-(2,4,6-trinitrophenyl)-8-azidoadenosine monophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.