RefChem:854079
TL;DR: RefChem:854079 (CAS 68958-86-1) is a chemical compound with molecular formula C6H33N7NiO12P4 and molecular weight 577.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentaazanium;hydron;nickel(2+);N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine
Also Known As: Pentaammonium nickelous 1,2-ethanedi(nitrilodi(methylene phosphonate)), Nickelate(6-), (((1,2-ethanediylbis((nitrilo-kappaN)bis(methylene)))tetrakis(phosphonato-kappaO))(8-))-, pentaammonium hydrogen, (OC-6-21)-, Nickelate(6-), (((1,2-ethanediylbis((nitrilo-kappaN)bis(methylene)))tetrakis(phosphonato-kappaO))(8-))-, ammonium hydrogen (1:5:1), (OC-6-21)-, Pentaammonium hydrogen [[[ethylenebis[nitrilobis(methylene)]]tetrakis[phosphonato]](8-)]nickelate(6-), Nickelate(6-), [[[1,2-ethanediylbis[(nitrilo-.kappa.N)bis(methylene)]]tetrakis[phosphonato-.kappa.O]](8-)]-, pentaammonium hydrogen, (OC-6-21)-
| Molecular Formula | C6H33N7NiO12P4 |
|---|---|
| Molecular Weight | 577.05 g/mol |
| LogP | -4.9338 |
| Topological Polar Surface Area | 264.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 577.04913 |
| Heavy Atoms | 30 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 68958-86-1 |
|---|---|
| SMILES | [H+].C(CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])N(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[Ni+2] |
| InChIKey | RJTJEKOEBGARPT-UHFFFAOYSA-L |
Product Overview
RefChem:854079 (CAS 68958-86-1), with molecular formula C6H33N7NiO12P4 and molecular weight 577.05 g/mol. IUPAC: pentaazanium;hydron;nickel(2+);N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine.
Chemical Property Profile of RefChem:854079
Property Insights of RefChem:854079
The XLogP value of -4.9338 indicates that RefChem:854079 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 264.0 Ų indicates high polarity, suggesting RefChem:854079 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:854079 has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:854079?
The CAS number of RefChem:854079 is 68958-86-1.
What is the molecular formula of RefChem:854079?
The molecular formula of RefChem:854079 is C6H33N7NiO12P4.
What is the molecular weight of RefChem:854079?
The molecular weight of RefChem:854079 is 577.05 g/mol.
Where can I buy RefChem:854079?
You can request a quote for RefChem:854079 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:854079?
Yes, KEHONG BIO provides custom synthesis services for RefChem:854079 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.