单硝酸异山梨酯
TL;DR: 单硝酸异山梨酯 (CAS 16051-77-7) 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.
单硝酸异山梨酯
[(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
Also Known As: ISOSORBIDE MONONITRATE, Isosorbide 5-mononitrate, Imdur, Monosorbitrate, Corangin
| 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 |
| Melting Point | 88 - 91 °C |
| Solubility | 5.70e+01 g/L |
Chemical Identifiers
| CAS Number | 16051-77-7 |
|---|---|
| SMILES | C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)O[N+](=O)[O-])O |
| InChIKey | YWXYYJSYQOXTPL-SLPGGIOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
单硝酸异山梨酯 (CAS 16051-77-7), with molecular formula C6H9NO6 and molecular weight 191.04 g/mol. IUPAC: [(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate.
Chemical Property Profile of 单硝酸异山梨酯
Property Insights of 单硝酸异山梨酯
The XLogP value of -0.4 indicates that 单硝酸异山梨酯 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 单硝酸异山梨酯. Following Lipinski's Rule of Five, 单硝酸异山梨酯 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 单硝酸异山梨酯?
The CAS number of 单硝酸异山梨酯 is 16051-77-7.
What is the molecular formula of 单硝酸异山梨酯?
The molecular formula of 单硝酸异山梨酯 is C6H9NO6.
What is the molecular weight of 单硝酸异山梨酯?
The molecular weight of 单硝酸异山梨酯 is 191.04 g/mol.
Where can I buy 单硝酸异山梨酯?
You can request a quote for 单硝酸异山梨酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 单硝酸异山梨酯?
Yes, KEHONG BIO provides custom synthesis services for 单硝酸异山梨酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.