2',3'-O (2,4,6-trinitrophenyl)-8-azidoadenosine diphosphate
TL;DR: 2',3'-O (2,4,6-trinitrophenyl)-8-azidoadenosine diphosphate (CAS 120218-68-0) is a chemical compound with molecular formula C16H14N11O16P2- and molecular weight 678.01 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',3',5'-trinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methyl phosphono phosphate
Also Known As: 2,3-Tpadp, TNP-8N3-ADP, TNP-8N(3)-ADP, 2',3'-O (2,4,6-Trinitrophenyl)-8-azidoadenosine diphosphate, 2'(3')-O-(2,4,6-Trinitrophenyl)-8-azidoadenosine 5'-diphosphate
| Molecular Formula | C16H14N11O16P2- |
|---|---|
| Molecular Weight | 678.01 g/mol |
| LogP | -2.5 |
| Topological Polar Surface Area | 365.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 7 |
| Exact Mass | 678.0095 |
| Heavy Atoms | 45 |
| Complexity | 1460.0 |
Chemical Identifiers
| CAS Number | 120218-68-0 |
|---|---|
| SMILES | C1=C(C=C(C2(C1[N+](=O)[O-])O[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)O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | ZSPCDKXXIQXEKT-QYOSTPAGSA-M |
Product Overview
2',3'-O (2,4,6-trinitrophenyl)-8-azidoadenosine diphosphate (CAS 120218-68-0), with molecular formula C16H14N11O16P2- and molecular weight 678.01 g/mol. IUPAC: [(3aR,4R,6R,6aR)-4-(6-amino-8-azidopurin-9-yl)-1',3',5'-trinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methyl phosphono phosphate.
Chemical Property Profile of 2',3'-O (2,4,6-trinitrophenyl)-8-azidoadenosine diphosphate
Property Insights of 2',3'-O (2,4,6-trinitrophenyl)-8-azidoadenosine diphosphate
The XLogP value of -2.5 indicates that 2',3'-O (2,4,6-trinitrophenyl)-8-azidoadenosine diphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 365.0 Ų indicates high polarity, suggesting 2',3'-O (2,4,6-trinitrophenyl)-8-azidoadenosine diphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2',3'-O (2,4,6-trinitrophenyl)-8-azidoadenosine diphosphate has 3 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 2',3'-O (2,4,6-trinitrophenyl)-8-azidoadenosine diphosphate?
The CAS number of 2',3'-O (2,4,6-trinitrophenyl)-8-azidoadenosine diphosphate is 120218-68-0.
What is the molecular formula of 2',3'-O (2,4,6-trinitrophenyl)-8-azidoadenosine diphosphate?
The molecular formula of 2',3'-O (2,4,6-trinitrophenyl)-8-azidoadenosine diphosphate is C16H14N11O16P2-.
What is the molecular weight of 2',3'-O (2,4,6-trinitrophenyl)-8-azidoadenosine diphosphate?
The molecular weight of 2',3'-O (2,4,6-trinitrophenyl)-8-azidoadenosine diphosphate is 678.01 g/mol.
Where can I buy 2',3'-O (2,4,6-trinitrophenyl)-8-azidoadenosine diphosphate?
You can request a quote for 2',3'-O (2,4,6-trinitrophenyl)-8-azidoadenosine diphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2',3'-O (2,4,6-trinitrophenyl)-8-azidoadenosine diphosphate?
Yes, KEHONG BIO provides custom synthesis services for 2',3'-O (2,4,6-trinitrophenyl)-8-azidoadenosine diphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.