ISDA: 8S90

Structural Complex

Chemical ID: R2R

IUPAC Name: ruthenium(6+) azanide pentaamino(oxido)ruthenium (1/4/2)

Formal Charge: ?

Type: non-polymer

Physiochemical Descriptor:

Formula: H42 N14 O2 Ru3

Molecular weight: 573.636

Hydrogen Bond Acceptor: 14

Hydrogen Bond Donor: 14

Rotatable Bonds: 0

Heavy Atoms: 19

Systematic name

Program	Version	Descriptor
ACDLabs	12.01	ruthenium(6+) azanide pentaamino(oxido)ruthenium (1/4/2)

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N[Ru](N)(N)(N)(O[Ru](N)(N)(N)(N)N)O[Ru](N)(N)(N)(N)N
InChI	InChI	1.06	InChI=1S/14H3N.2O.3Ru/h14*1H3;;;;;
InChIKey	InChI	1.06	WDCCAVRFKVFKFR-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	N.N.N.N.N.N.N.N.N.N.N.N.N.N.[Ru]O[Ru]O[Ru]
SMILES	CACTVS	3.385	N.N.N.N.N.N.N.N.N.N.N.N.N.N.[Ru]O[Ru]O[Ru]
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	[NH3][Ru]([NH3])([NH3])([NH3])([NH3])O[Ru]([NH3])([NH3])([NH3])([NH3])O[Ru]([NH3])([NH3])([NH3])([NH3])[NH3]
SMILES	OpenEye OEToolkits	3.1.0.0	[NH3][Ru]([NH3])([NH3])([NH3])([NH3])O[Ru]([NH3])([NH3])([NH3])([NH3])O[Ru]([NH3])([NH3])([NH3])([NH3])[NH3]