RefChem:165703 structure

RefChem:165703

pentapotassium;hydron;nickel(2+);N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine

Also Known As: Pentapotassium nickelous 1,2-ethane di(nitrilodi(methylene phosphonate))|Nickelate(6-), (((1,2-ethanediylbis((nitrilo-kappaN)bis(methylene)))tetrakis(phosphonato-kappaO))(8-))-, pentapotassium hydrogen, (OC-6-21)-|Nickelate(6-), (((1,2-ethanediylbis((nitrilo-kappaN)bis(methylene)))tetrakis(phosphonato-kappaO))(8-))-, potassium hydrogen (1:5:1), (OC-6-21)-|HYDROGEN PENTAPOTASSIUM [[[ETHYLENEBIS[NITRILOBIS(METHYLENE)]]TETRAKIS[PHOSPHONATO]](8-)]NICKELATE(6-)|Nickelate(6-), [[[1,2-ethanediylbis[(nitrilo-.kappa.N)bis(methylene)]]tetrakis[phosphonato-.kappa.O]](8-)]-, pentapotassium hydrogen, (OC-6-21)-|Hydrogen pentapotassium (((ethylenebis(nitrilobis(methylene)))tetrakis(phosphonato))(8-))nickelate(6-)|Hydrogen pentapotassium[[[ethylenebis[nitrilobis(methylene)]]tetrakis[phosphonato]](8-)]nickelate(6-)|Nickelate(6-), [[[1,2-ethanedibybis[nitrilobis (methylene)]]tetrakis[phosphonato]] (8-)]-, pentapotassium hydrogen, (OC-6-21)-|Nickelate(6-), [[[1,2-ethanediylbis[(nitrilo-.kappa.N)bis(methylene)]]tetrakis[phosphonato-.kappa.O]](8-)]-, potassium hydrogen (1:5:1), (OC-6-21)-|Nickelate(6-), [[[1,2-ethanediylbis[(nitrilo-kappaN)bis(methylene)]]tetrakis[phosphonato-kappaO]](8-)]-, potassium hydrogen (1:5:1), (OC-6-21)-|Nickelate(6-), [[[1,2-ethanediylbis[nitrilobis(methylene)]]tetrakis[phosphonato]](8-)-N,N',OP,OP',OP'',OP''']-, pentapotassium hydrogen, (OC-6-21)-|Nickelate(6-), [[[1,2-ethanediylbis[nitrilobis(methylene)]]tetrakis[phosphonato]](8-)]-, pentapotassium hydrogen, (OC-6-21)-|pentapotassium; hydron; nickel(2+); N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine

CAS: 68958-87-2
Molecular Formula C6H13K5N2NiO12P4
Molecular Weight 681.6958 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 681.6958
Monoisotopic Mass 681.6958
Heavy Atoms 30
Complexity 440.0

Chemical Identifiers

CAS Number 68958-87-2
SMILES [H+].C(CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])N(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[K+].[K+].[K+].[K+].[K+].[Ni+2]
InChIKey OKQSEMOGVIXKTK-UHFFFAOYSA-G

Product Overview

RefChem:165703 (CAS 68958-87-2), with molecular formula C6H13K5N2NiO12P4 and molecular weight 681.6958 g/mol. IUPAC: pentapotassium;hydron;nickel(2+);N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine.

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