CAS 12027-47-3|tetrasodium 5-({1,13-dioxido-7-[(5-oxido-1,1,3,3,5,5-hexaoxotritungstoxan-1-yl)oxy]-1,1,3,3,5,5,9,9,11,11,13,13-dodecaoxo-2,4,6,8,10,12-hexaoxa-7-sila-1,3,5,9,11,13-hexatungstatrideca...

General Information

Structure

Molecular Formula

Na₄O₄₀SiW₁₂

Molecular Mass

2966.10058

Exact Mass

2967.14376046

Charge

InChI

InChI=1S/4Na.O4Si.36O.12W/c;;;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q4*+1;-4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;4*-1;;;;;;;;;4*+1

InChIKey

IUPRZHYPMQJZQW-UHFFFAOYSA-N

Canonic Smiles

O=[W](=O)(O[W](=O)(=O)O[W](=O)(=O)[O-])O[Si](O[W](=O)(=O)O[W](=O)(=O)O[W](=O)(=O)[O-])(O[W](=O)(=O)O[W](=O)(=O)O[W](=O)(=O)[O-])O[W](=O)(=O)O[W](=O)(=O)O[W](=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric Smiles

[Na+].[Na+].[Na+].[Na+].[O-][W](=O)(=O)O[W](=O)(=O)O[W](=O)(=O)O[Si](O[W](=O)(=O)O[W](=O)(=O)O[W](=O)(=O)[O-])(O[W](=O)(=O)O[W](=O)(=O)O[W](=O)(=O)[O-])O[W](=O)(=O)O[W](=O)(=O)O[W](=O)(=O)[O-]

Calculated Properties

JChem

Acid pKa

11.861755

H Acceptors

H Donor

LogD (pH = 5.5)

-7.78

LogD (pH = 7.4)

-7.780015

Log P

-7.78

Molar Refractivity

56.6036

Polarizability

122.892166

Polar Surface Area

612.68

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

tetrasodium 5-({1,13-dioxido-7-[(5-oxido-1,1,3,3,5,5-hexaoxotritungstoxan-1-yl)oxy]-1,1,3,3,5,5,9,9,11,11,13,13-dodecaoxo-2,4,6,8,10,12-hexaoxa-7-sila-1,3,5,9,11,13-hexatungstatridecan-7-yl}oxy)-3,3,5,5-tetraoxotritungstoxan-1-oylolate

Synonyms

SODIUM SILICOTUNGSTATE

IUPAC Traditional name

tetrapotassium 5-({1,13-dioxido-7-[(5-oxido-1,1,3,3,5,5-hexaoxotritungstoxan-1-yl)oxy]-1,1,3,3,5,5,9,9,11,11,13,13-dodecaoxo-2,4,6,8,10,12-hexaoxa-7-sila-1,3,5,9,11,13-hexatungstatridecan-7-yl}oxy)-3,3,5,5-tetraoxotritungstoxan-1-oylolate

Names and Identifiers

Registration numbers

CAS Number

12027-47-3

PubChem SID

162097344

PubChem CID

25113564

Registration numbers

Properties

Safety Information

MSDS Link