alpha-Epoxyconduritol e tetranitrate
TL;DR: alpha-Epoxyconduritol e tetranitrate (CAS 23627-80-7) is a chemical compound with molecular formula C6H6N4O13 and molecular weight 341.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4,5-trinitrooxy-7-oxabicyclo[4.1.0]heptan-3-yl) nitrate
Also Known As: alpha-Epoxyconduritol e tetranitrate, .alpha.-Epoxyconduritol e tetranitrate, 1,2-Anhydro-3,4,5,6,-alloinositol tetranitrate, 7-Oxabicyclo[4.1.0]heptane-2,3,4,5-tetrayl tetranitrate, (2,4,5-trinitrooxy-7-oxabicyclo[4.1.0]heptan-3-yl) nitrate
| Molecular Formula | C6H6N4O13 |
|---|---|
| Molecular Weight | 341.99 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 233.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.99313 |
| Heavy Atoms | 23 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 23627-80-7 |
|---|---|
| SMILES | C12C(O1)C(C(C(C2O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-] |
| InChIKey | LOVOHJNLPMZKIN-UHFFFAOYSA-N |
Product Overview
alpha-Epoxyconduritol e tetranitrate (CAS 23627-80-7), with molecular formula C6H6N4O13 and molecular weight 341.99 g/mol. IUPAC: (2,4,5-trinitrooxy-7-oxabicyclo[4.1.0]heptan-3-yl) nitrate.
Chemical Property Profile of alpha-Epoxyconduritol e tetranitrate
Property Insights of alpha-Epoxyconduritol e tetranitrate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Epoxyconduritol e tetranitrate. The TPSA of 233.0 Ų indicates high polarity, suggesting alpha-Epoxyconduritol e tetranitrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, alpha-Epoxyconduritol e tetranitrate has 0 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of alpha-Epoxyconduritol e tetranitrate?
The CAS number of alpha-Epoxyconduritol e tetranitrate is 23627-80-7.
What is the molecular formula of alpha-Epoxyconduritol e tetranitrate?
The molecular formula of alpha-Epoxyconduritol e tetranitrate is C6H6N4O13.
What is the molecular weight of alpha-Epoxyconduritol e tetranitrate?
The molecular weight of alpha-Epoxyconduritol e tetranitrate is 341.99 g/mol.
Where can I buy alpha-Epoxyconduritol e tetranitrate?
You can request a quote for alpha-Epoxyconduritol e tetranitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Epoxyconduritol e tetranitrate?
Yes, KEHONG BIO provides custom synthesis services for alpha-Epoxyconduritol e tetranitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.