hexachlorotriruthenoxane tetradecaamine tetrahydrate

• ChemBase ID: 104601
• Molecular Formular: Cl6H50N14O6Ru3
• Molecular Mass: 858.4152
• Monoisotopic Mass: 857.92993847
• SMILES: N.N.N.N.N.N.N.N.N.N.N.N.N.N.O.O.O.O.Cl[Ru](Cl)O[Ru](Cl)(Cl)O[Ru](Cl)Cl
• Canonical SMILES: Cl[Ru](O[Ru](O[Ru](Cl)Cl)(Cl)Cl)Cl.N.N.N.N.N.N.N.N.N.N.N.N.N.N.O.O.O
• InChI: InChI=1S/6ClH.14H3N.4H2O.2O.3Ru/h6*1H;14*1H3;4*1H2;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;3*+2/p-6
• InChIKey: UOBLCSVRCVTKCY-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: hexachlorotriruthenoxane tetradecaamine tetrahydrate
• IUPAC Traditional name: hexachlorotriruthenoxane tetradecaamine tetrahydrate
• Synonyms: Ruthenium oxychloride ammoniated; RUTHENIUM RED

Database IDs

• CAS Number: 11103-72-3
• PubChem SID: 162092024
• PubChem CID: 44134938

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.3494
• LogD (pH = 7.4): 4.3494
• Log P: 4.3494
• Molar Refractivity: 39.5182 cm^3
• Polarizability: 29.937624 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)

Product Information

• Purity: Dye Content ~20%

DETAILS

MP Biomedicals - 02156565

Tetrahydrate
Dye Content: ~ 20%
A Ca^2+ antagonist.