(2',3')O-(2,4,6-trinitrocyclohexadienylidine)adenosine
TL;DR: (2',3')O-(2,4,6-trinitrocyclohexadienylidine)adenosine (CAS 74792-78-2) is a chemical compound with molecular formula C16H13N8NaO10 and molecular weight 500.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium [(3aR,4R,6R,6aR)-4-(6-aminopurin-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]methanolate
Also Known As: Tnp-ado, (2',3')O-(2,4,6-trinitrocyclohexadienylidine)adenosine, (2',3')-O-(2,4,6-Trinitrocyclohexadienylidine)adenosine, Adenosine, 2',3'-O-(2,4,6-trinitro-2,4-cyclohexadien-1-ylidene)-, ion(1-), sodium, Sodium;[(3aR,4R,6R,6aR)-4-(6-aminopurin-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]methanolate
| Molecular Formula | C16H13N8NaO10 |
|---|---|
| Molecular Weight | 500.07 g/mol |
| LogP | -4.8694 |
| Topological Polar Surface Area | 258.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 2 |
| Exact Mass | 500.06525 |
| Heavy Atoms | 35 |
| Complexity | 961.0 |
Chemical Identifiers
| CAS Number | 74792-78-2 |
|---|---|
| SMILES | C1=C(C=C(C2(C1[N+](=O)[O-])O[C@@H]3[C@H](O[C@H]([C@@H]3O2)N4C=NC5=C(N=CN=C54)N)C[O-])[N+](=O)[O-])[N+](=O)[O-].[Na+] |
| InChIKey | IKCKTZDNJROBPG-RUQMBEDUSA-N |
Product Overview
(2',3')O-(2,4,6-trinitrocyclohexadienylidine)adenosine (CAS 74792-78-2), with molecular formula C16H13N8NaO10 and molecular weight 500.07 g/mol. IUPAC: sodium [(3aR,4R,6R,6aR)-4-(6-aminopurin-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]methanolate.
Chemical Property Profile of (2',3')O-(2,4,6-trinitrocyclohexadienylidine)adenosine
Property Insights of (2',3')O-(2,4,6-trinitrocyclohexadienylidine)adenosine
The XLogP value of -4.8694 indicates that (2',3')O-(2,4,6-trinitrocyclohexadienylidine)adenosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 258.0 Ų indicates high polarity, suggesting (2',3')O-(2,4,6-trinitrocyclohexadienylidine)adenosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2',3')O-(2,4,6-trinitrocyclohexadienylidine)adenosine has 1 hydrogen bond donor(s) and 14 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-trinitrocyclohexadienylidine)adenosine?
The CAS number of (2',3')O-(2,4,6-trinitrocyclohexadienylidine)adenosine is 74792-78-2.
What is the molecular formula of (2',3')O-(2,4,6-trinitrocyclohexadienylidine)adenosine?
The molecular formula of (2',3')O-(2,4,6-trinitrocyclohexadienylidine)adenosine is C16H13N8NaO10.
What is the molecular weight of (2',3')O-(2,4,6-trinitrocyclohexadienylidine)adenosine?
The molecular weight of (2',3')O-(2,4,6-trinitrocyclohexadienylidine)adenosine is 500.07 g/mol.
Where can I buy (2',3')O-(2,4,6-trinitrocyclohexadienylidine)adenosine?
You can request a quote for (2',3')O-(2,4,6-trinitrocyclohexadienylidine)adenosine 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-trinitrocyclohexadienylidine)adenosine?
Yes, KEHONG BIO provides custom synthesis services for (2',3')O-(2,4,6-trinitrocyclohexadienylidine)adenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.