Pentaerythritol mononitrate
TL;DR: Pentaerythritol mononitrate (CAS 1607-00-7) is a chemical compound with molecular formula C5H11NO6 and molecular weight 181.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-hydroxy-2,2-bis(hydroxymethyl)propyl] nitrate
Also Known As: Pentaerythritol mononitrate, Pentaerithrityl nitrate, Pentaerythrityl Mononitrate, [3-hydroxy-2,2-bis(hydroxymethyl)propyl] nitrate, 3-Hydroxy-2,2-bis(hydroxymethyl)propyl nitrate
| Molecular Formula | C5H11NO6 |
|---|---|
| Molecular Weight | 181.06 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 181.05864 |
| Heavy Atoms | 12 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 1607-00-7 |
|---|---|
| SMILES | C(C(CO)(CO)CO[N+](=O)[O-])O |
| InChIKey | RHVYBZNTBGYKKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentaerythritol mononitrate (CAS 1607-00-7), with molecular formula C5H11NO6 and molecular weight 181.06 g/mol. IUPAC: [3-hydroxy-2,2-bis(hydroxymethyl)propyl] nitrate.
Chemical Property Profile of Pentaerythritol mononitrate
Property Insights of Pentaerythritol mononitrate
The XLogP value of -1.4 indicates that Pentaerythritol mononitrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentaerythritol mononitrate. Following Lipinski's Rule of Five, Pentaerythritol mononitrate has 3 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 Pentaerythritol mononitrate?
The CAS number of Pentaerythritol mononitrate is 1607-00-7.
What is the molecular formula of Pentaerythritol mononitrate?
The molecular formula of Pentaerythritol mononitrate is C5H11NO6.
What is the molecular weight of Pentaerythritol mononitrate?
The molecular weight of Pentaerythritol mononitrate is 181.06 g/mol.
Where can I buy Pentaerythritol mononitrate?
You can request a quote for Pentaerythritol mononitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentaerythritol mononitrate?
Yes, KEHONG BIO provides custom synthesis services for Pentaerythritol mononitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.