dialuminium(3+) ion disodium tetrakis(silanedione) dihydrate tetraoxidandiide

• ChemBase ID: 303663
• Molecular Formular: Al2H10Na2O14Si4
• Molecular Mass: 446.355616
• Monoisotopic Mass: 445.85737695
• SMILES: O.O.[O-2].[O-2].[O-2].[O-2].O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.[Na+].[Na+].[AlH3+3].[AlH3+3]
• Canonical SMILES: O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O.O.[O-2].[O-2].[O-2].[O-2].[Na+].[Na+].[AlH3+3].[AlH3+3]
• InChI: InChI=1S/2Al.2Na.4O2Si.2H2O.4O/c;;;;4*1-3-2;;;;;;/h;;;;;;;;2*1H2;;;;/q2*+3;2*+1;;;;;;;4*-2
• InChIKey: DWRNUZWHLBUVSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dialuminium(3+) ion disodium tetrakis(silanedione) dihydrate tetraoxidandiide
• IUPAC Traditional name: dialuminium(3+) ion disodium tetrakis(silica) dihydrate tetraoxidandiide
• Synonyms: Analcite; Analcime, naturally occurring mineral, grains, approximately 0.06-0.19in; 方沸石, 天然矿物, 晶粒, 大约 0.06-0.19in

Database IDs

• MDL Number: MFCD01864014

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.6578
• LogD (pH = 7.4): -0.6578
• Log P: -0.6578
• Molar Refractivity: 2.8858 cm^3
• Polarizability: 3.6543093 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否