RefChem:854080
TL;DR: RefChem:854080 (CAS 68958-88-3) is a chemical compound with molecular formula C6H13N2Na5NiO12P4 and molecular weight 601.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentasodium;hydron;nickel(2+);N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine
Also Known As: Pentasodium nickelous 1,2-ethanedi(nitrilodi(methylene phosphonate)), Nickelate(6-), (((1,2-ethanediylbis((nitrilo-kappaN)bis(methylene)))tetrakis(phosphonato-kappaO))(8-))-, pentasodium hydrogen, (OC-6-21)-, HYDROGEN PENTASODIUM [[[ETHYLENEBIS[NITRILOBIS(METHYLENE)]]TETRAKIS[PHOSPHONATO]](8-)]NICKELATE(6-), Nickelate(6-), (((1,2-ethanediylbis((nitrilo-kappaN)bis(methylene)))tetrakis(phosphonato-kappaO))(8-))-, sodium hydrogen (1:5:1), (OC-6-21)-, Hydrogen pentasodium (((ethylenebis(nitrilobis(methylene)))tetrakis(phosphonato))(8-))nickelate(6-)
| Molecular Formula | C6H13N2Na5NiO12P4 |
|---|---|
| Molecular Weight | 601.83 g/mol |
| LogP | -21.7948 |
| Topological Polar Surface Area | 259.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 601.8261 |
| Heavy Atoms | 30 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 68958-88-3 |
|---|---|
| SMILES | [H+].C(CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])N(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Ni+2] |
| InChIKey | SRDKHKJDDLLODM-UHFFFAOYSA-G |
Product Overview
RefChem:854080 (CAS 68958-88-3), with molecular formula C6H13N2Na5NiO12P4 and molecular weight 601.83 g/mol. IUPAC: pentasodium;hydron;nickel(2+);N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine.
Chemical Property Profile of RefChem:854080
Property Insights of RefChem:854080
The XLogP value of -21.7948 indicates that RefChem:854080 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 259.0 Ų indicates high polarity, suggesting RefChem:854080 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:854080 has 1 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:854080?
The CAS number of RefChem:854080 is 68958-88-3.
What is the molecular formula of RefChem:854080?
The molecular formula of RefChem:854080 is C6H13N2Na5NiO12P4.
What is the molecular weight of RefChem:854080?
The molecular weight of RefChem:854080 is 601.83 g/mol.
Where can I buy RefChem:854080?
You can request a quote for RefChem:854080 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:854080?
Yes, KEHONG BIO provides custom synthesis services for RefChem:854080 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.