Isosorbide 2-mononitrate
TL;DR: Isosorbide 2-mononitrate (CAS 16106-20-0) is a chemical compound with molecular formula C6H9NO6 and molecular weight 191.04298 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3R,3aR,6S,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
Also Known As: Isosorbide 2-nitrate, Isosorbide 2-mononitrate, Isosorbide-2-mononitrate, Monosorbitrate, isosorbide nitrate
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H9NO6 |
| Molecular Weight | 191.04298 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 93.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.04298 Da |
| Heavy Atoms | 13 |
| Complexity | 216.0 |
| SMILES | C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])O |
| InChIKey | YWXYYJSYQOXTPL-JGWLITMVSA-N |
Chemical Property Profile of Isosorbide 2-mononitrate
Property Insights of Isosorbide 2-mononitrate
The XLogP value of -0.4 indicates that Isosorbide 2-mononitrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Isosorbide 2-mononitrate. Following Lipinski's Rule of Five, Isosorbide 2-mononitrate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isosorbide 2-mononitrate?
The CAS number of Isosorbide 2-mononitrate is 16106-20-0.
What is the molecular formula of Isosorbide 2-mononitrate?
The molecular formula of Isosorbide 2-mononitrate is C6H9NO6.
What is the molecular weight of Isosorbide 2-mononitrate?
The molecular weight of Isosorbide 2-mononitrate is 191.04298 g/mol.
Where can I buy Isosorbide 2-mononitrate?
You can request a quote for Isosorbide 2-mononitrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isosorbide 2-mononitrate?
Yes, CoreyChem provides custom synthesis services for Isosorbide 2-mononitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.