Pentasodium nitrilotris(methylenephosphonate)
TL;DR: Pentasodium nitrilotris(methylenephosphonate) (CAS 2235-43-0) is a chemical compound with molecular formula C3H7NNa5O9P3 and molecular weight 408.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentasodium;[bis(phosphonatomethyl)amino]methyl-hydroxyphosphinate
Also Known As: Dequest 2006, Kenrox 106, ATMP5Na, Na5HATMP, ATMP pentasodium salt
| Molecular Formula | C3H7NNa5O9P3 |
|---|---|
| Molecular Weight | 408.88 g/mol |
| LogP | -19.45 |
| Topological Polar Surface Area | 190.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.8822 |
| Heavy Atoms | 21 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 2235-43-0 |
|---|---|
| SMILES | C(N(CP(=O)([O-])[O-])CP(=O)([O-])[O-])P(=O)(O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | OSBMVGFXROCQIZ-UHFFFAOYSA-I |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentasodium nitrilotris(methylenephosphonate) (CAS 2235-43-0), with molecular formula C3H7NNa5O9P3 and molecular weight 408.88 g/mol. IUPAC: pentasodium;[bis(phosphonatomethyl)amino]methyl-hydroxyphosphinate.
Chemical Property Profile of Pentasodium nitrilotris(methylenephosphonate)
Property Insights of Pentasodium nitrilotris(methylenephosphonate)
The XLogP value of -19.45 indicates that Pentasodium nitrilotris(methylenephosphonate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 190.0 Ų indicates high polarity, suggesting Pentasodium nitrilotris(methylenephosphonate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pentasodium nitrilotris(methylenephosphonate) has 1 hydrogen bond donor(s) and 10 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 Pentasodium nitrilotris(methylenephosphonate)?
The CAS number of Pentasodium nitrilotris(methylenephosphonate) is 2235-43-0.
What is the molecular formula of Pentasodium nitrilotris(methylenephosphonate)?
The molecular formula of Pentasodium nitrilotris(methylenephosphonate) is C3H7NNa5O9P3.
What is the molecular weight of Pentasodium nitrilotris(methylenephosphonate)?
The molecular weight of Pentasodium nitrilotris(methylenephosphonate) is 408.88 g/mol.
Where can I buy Pentasodium nitrilotris(methylenephosphonate)?
You can request a quote for Pentasodium nitrilotris(methylenephosphonate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentasodium nitrilotris(methylenephosphonate)?
Yes, KEHONG BIO provides custom synthesis services for Pentasodium nitrilotris(methylenephosphonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.