bis((oxidanuidylidyneazaniumyl)rutheniumtris(ylium)) trisulfate

• ChemBase ID: 303717
• Molecular Formular: N2O14Ru2S3
• Molecular Mass: 550.34
• Monoisotopic Mass: 551.65986369
• SMILES: [N+](#[O-])[Ru+3].[N+](#[O-])[Ru+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]
• Canonical SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]#[N+][Ru+3].[O-]#[N+][Ru+3]
• InChI: InChI=1S/2NO.3H2O4S.2Ru/c2*1-2;3*1-5(2,3)4;;/h;;3*(H2,1,2,3,4);;/q2*-1;;;;2*+4/p-6
• InChIKey: ICSRHFHFSPRLNA-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: bis((oxidanuidylidyneazaniumyl)rutheniumtris(ylium)) trisulfate
• IUPAC Traditional name: bis((oxidanuidylidyneammonio)rutheniumtris(ylium)) trisulfate
• Synonyms: Ruthenium(III) nitrosylsulfate, Premion®; 亚硝酰硫酸钌(III), Premion®

Database IDs

• MDL Number: MFCD02684508

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 11.5274 cm^3
• Polarizability: 6.037845 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Soluble in water
• Apperance: Powder

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99.99% (metals basis)