tetrabismuth(3+) ion tetrakis(nitrooxidane) oxobismuthanylium nonaoxidanide

• ChemBase ID: 110510
• Molecular Formular: Bi5H9N4O22
• Molecular Mass: 1461.98706
• Monoisotopic Mass: 1461.87283295
• SMILES: [OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Bi+3].[Bi+3].[Bi+3].[Bi+3].O=[Bi+].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[Bi+]=O.[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Bi+3].[Bi+3].[Bi+3].[Bi+3]
• InChI: InChI=1S/5Bi.4NO3.9H2O.O/c;;;;;4*2-1(3)4;;;;;;;;;;/h;;;;;;;;;9*1H2;/q+1;4*+3;4*-1;;;;;;;;;;/p-9
• InChIKey: OAVDTZZNYFIIGB-UHFFFAOYSA-E

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrabismuth(3+) ion tetrakis(nitrooxidane) oxobismuthanylium nonaoxidanide
• IUPAC Traditional name: tetrabismuth(3+) ion oxobismuthanylium tetranitronate nonakis(OH-)
• Synonyms: BISMUTH SUBNITRATE

Database IDs

• CAS Number: 1304-85-4
• EC Number: 215-136-8
• PubChem SID: 162095961
• PubChem CID: 24884203

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.3479722
• LogD (pH = 7.4): -2.3479848
• Log P: 0.028413763
• Molar Refractivity: 9.8534 cm^3
• Polarizability: 3.4222581 Å^3
• Polar Surface Area: 68.88 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false
• Acid pKa: -1.3999903

PROPERTIES

Physical Property

• Melting Point: 500°C

Safety Information

• RTECS: EB2977000
• European Hazard Symbols: Oxidising (O)
• Risk Statements: R:8
• Safety Statements: S:16-17-26-28