Isosorbide-5-mononitrate-2-glucuronide
TL;DR: Isosorbide-5-mononitrate-2-glucuronide (CAS 32871-20-8) is a chemical compound with molecular formula C12H17NO12 and molecular weight 367.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[(3S,3aR,6R,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: IS-5-MN-2-Glu, Isosorbide-5-mononitrate-2-glucuronide, Isosorbide-5-nitrate-glucuronide, Isosorbide 5-Mononitrate 2-beta-D-Glucuronide, Isosorbide 5-Mononitrate 2-
| Molecular Formula | C12H17NO12 |
|---|---|
| Molecular Weight | 367.08 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 190.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.07507 |
| Heavy Atoms | 25 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 32871-20-8 |
|---|---|
| SMILES | C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)O[N+](=O)[O-])OC3C(C(C(C(O3)C(=O)O)O)O)O |
| InChIKey | MQHSDQNPAIOBOQ-KUIJWGRUSA-N |
Product Overview
Isosorbide-5-mononitrate-2-glucuronide (CAS 32871-20-8), with molecular formula C12H17NO12 and molecular weight 367.08 g/mol. IUPAC: 6-[[(3S,3aR,6R,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Isosorbide-5-mononitrate-2-glucuronide
Property Insights of Isosorbide-5-mononitrate-2-glucuronide
The XLogP value of -2.0 indicates that Isosorbide-5-mononitrate-2-glucuronide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 190.0 Ų indicates high polarity, suggesting Isosorbide-5-mononitrate-2-glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isosorbide-5-mononitrate-2-glucuronide has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isosorbide-5-mononitrate-2-glucuronide?
The CAS number of Isosorbide-5-mononitrate-2-glucuronide is 32871-20-8.
What is the molecular formula of Isosorbide-5-mononitrate-2-glucuronide?
The molecular formula of Isosorbide-5-mononitrate-2-glucuronide is C12H17NO12.
What is the molecular weight of Isosorbide-5-mononitrate-2-glucuronide?
The molecular weight of Isosorbide-5-mononitrate-2-glucuronide is 367.08 g/mol.
Where can I buy Isosorbide-5-mononitrate-2-glucuronide?
You can request a quote for Isosorbide-5-mononitrate-2-glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isosorbide-5-mononitrate-2-glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Isosorbide-5-mononitrate-2-glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.