Phosphonic acid, (hexamethylenebis(nitrilodimethylene))tetra-, hexaammonium salt
TL;DR: Phosphonic acid, (hexamethylenebis(nitrilodimethylene))tetra-, hexaammonium salt (CAS 78729-88-1) is a chemical compound with molecular formula C10H46N8O12P4 and molecular weight 594.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azane;[6-[bis(phosphonomethyl)amino]hexyl-(phosphonomethyl)amino]methylphosphonic acid
Also Known As: Phosphonic acid, (hexamethylenebis(nitrilodimethylene))tetra-, hexaammonium salt, ammonium hydrogen{hexane-1,6-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)(6:2:1), Phosphonic acid, (1,6-hexanediylbis(nitrilobis(methylene)))tetrakis-, hexaammonium salt, Phosphonic acid, P,P',P'',P'''-(1,6-hexanediylbis(nitrilobis(methylene)))tetrakis-, ammonium salt (1:6), azane; [6-[bis(phosphonomethyl)amino]hexyl-(phosphonomethyl)amino]methylphosphonic acid
| Molecular Formula | C10H46N8O12P4 |
|---|---|
| Molecular Weight | 594.22 g/mol |
| LogP | 0.6636 |
| Topological Polar Surface Area | 243.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 15 |
| Exact Mass | 594.21857 |
| Heavy Atoms | 34 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 78729-88-1 |
|---|---|
| SMILES | C(CCCN(CP(=O)(O)O)CP(=O)(O)O)CCN(CP(=O)(O)O)CP(=O)(O)O.N.N.N.N.N.N |
| InChIKey | OVIJOEBIXCCXGA-UHFFFAOYSA-N |
Product Overview
Phosphonic acid, (hexamethylenebis(nitrilodimethylene))tetra-, hexaammonium salt (CAS 78729-88-1), with molecular formula C10H46N8O12P4 and molecular weight 594.22 g/mol. IUPAC: azane;[6-[bis(phosphonomethyl)amino]hexyl-(phosphonomethyl)amino]methylphosphonic acid.
Chemical Property Profile of Phosphonic acid, (hexamethylenebis(nitrilodimethylene))tetra-, hexaammonium salt
Property Insights of Phosphonic acid, (hexamethylenebis(nitrilodimethylene))tetra-, hexaammonium salt
The XLogP value of 0.6636 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonic acid, (hexamethylenebis(nitrilodimethylene))tetra-, hexaammonium salt. The TPSA of 243.0 Ų indicates high polarity, suggesting Phosphonic acid, (hexamethylenebis(nitrilodimethylene))tetra-, hexaammonium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phosphonic acid, (hexamethylenebis(nitrilodimethylene))tetra-, hexaammonium salt has 14 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphonic acid, (hexamethylenebis(nitrilodimethylene))tetra-, hexaammonium salt?
The CAS number of Phosphonic acid, (hexamethylenebis(nitrilodimethylene))tetra-, hexaammonium salt is 78729-88-1.
What is the molecular formula of Phosphonic acid, (hexamethylenebis(nitrilodimethylene))tetra-, hexaammonium salt?
The molecular formula of Phosphonic acid, (hexamethylenebis(nitrilodimethylene))tetra-, hexaammonium salt is C10H46N8O12P4.
What is the molecular weight of Phosphonic acid, (hexamethylenebis(nitrilodimethylene))tetra-, hexaammonium salt?
The molecular weight of Phosphonic acid, (hexamethylenebis(nitrilodimethylene))tetra-, hexaammonium salt is 594.22 g/mol.
Where can I buy Phosphonic acid, (hexamethylenebis(nitrilodimethylene))tetra-, hexaammonium salt?
You can request a quote for Phosphonic acid, (hexamethylenebis(nitrilodimethylene))tetra-, hexaammonium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonic acid, (hexamethylenebis(nitrilodimethylene))tetra-, hexaammonium salt?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, (hexamethylenebis(nitrilodimethylene))tetra-, hexaammonium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.