Isoidide mononitrate
TL;DR: Isoidide mononitrate (CAS 35993-37-4) is a chemical compound with molecular formula C6H9NO6 and molecular weight 191.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
Also Known As: Isoidide mononitrate, L-Iimn, Monosorbitrate, Isomannide mononitrate, L-Isoidide-2-mononitrate
| Molecular Formula | C6H9NO6 |
|---|---|
| Molecular Weight | 191.04 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 93.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.04298 |
| Heavy Atoms | 13 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 35993-37-4 |
|---|---|
| SMILES | C1[C@H]([C@@H]2[C@H](O1)[C@@H](CO2)O[N+](=O)[O-])O |
| InChIKey | YWXYYJSYQOXTPL-KVTDHHQDSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoidide mononitrate (CAS 35993-37-4), with molecular formula C6H9NO6 and molecular weight 191.04 g/mol. IUPAC: [(3R,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate.
Chemical Property Profile of Isoidide mononitrate
Property Insights of Isoidide mononitrate
The XLogP value of -0.4 indicates that Isoidide 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 Isoidide mononitrate. Following Lipinski's Rule of Five, Isoidide 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
Frequently Asked Questions
What is the CAS number of Isoidide mononitrate?
The CAS number of Isoidide mononitrate is 35993-37-4.
What is the molecular formula of Isoidide mononitrate?
The molecular formula of Isoidide mononitrate is C6H9NO6.
What is the molecular weight of Isoidide mononitrate?
The molecular weight of Isoidide mononitrate is 191.04 g/mol.
Where can I buy Isoidide mononitrate?
You can request a quote for Isoidide mononitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoidide mononitrate?
Yes, KEHONG BIO provides custom synthesis services for Isoidide mononitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.