triammonium 5-({[(oxidodioxomolybdenio)oxy]dioxomolybdenio}oxy)-1,1,3,3,7,7,9,9-octaoxo-2,4,6,8-tetraoxa-5-chroma-1,3,7,9-tetramolybdanonane-1,9-bis(olate)|triammonium 5-({[(oxidodioxomolybdenio)oxy...

General Information

Structure

Molecular Formula

CrH₁₂Mo₆N₃O₂₁

Molecular Mass

1017.85888

Exact Mass

1029.36928492

Charge

InChI

InChI=1S/Cr.6Mo.3H3N.21O/h;;;;;;;3*1H3;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*-1/p+3

InChIKey

JIGRGMJEWPJJEL-UHFFFAOYSA-Q

Canonic Smiles

O=[Mo](=O)(O[Mo](=O)(=O)[O-])O[Cr](O[Mo](=O)(=O)O[Mo](=O)(=O)[O-])O[Mo](=O)(=O)O[Mo](=O)(=O)[O-].[NH4+].[NH4+].[NH4+]

Isomeric Smiles

[NH4+].[NH4+].[NH4+].[O-][Mo](=O)(=O)O[Mo](=O)(=O)O[Cr](O[Mo](=O)(=O)O[Mo](=O)(=O)[O-])O[Mo](=O)(=O)O[Mo](=O)(=O)[O-]

Calculated Properties

JChem

Acid pKa

11.479027

H Acceptors

H Donor

LogD (pH = 5.5)

-4.9482

LogD (pH = 7.4)

-4.948236

Log P

-4.9482

Molar Refractivity

29.7447

Polarizability

47.2228

Polar Surface Area

329.4

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

triammonium 5-({[(oxidodioxomolybdenio)oxy]dioxomolybdenio}oxy)-1,1,3,3,7,7,9,9-octaoxo-2,4,6,8-tetraoxa-5-chroma-1,3,7,9-tetramolybdanonane-1,9-bis(olate)

IUPAC name

triammonium 5-({[(oxidodioxomolybdenio)oxy]dioxomolybdenio}oxy)-1,1,3,3,7,7,9,9-octaoxo-2,4,6,8-tetraoxa-5-chroma-1,3,7,9-tetramolybdanonane-1,9-bis(olate)

Synonyms

AMMONIUM-6-MOLYBDOCHROMATE

Names and Identifiers

Registration numbers

PubChem SID

162106726

PubChem CID

44135764

Registration numbers

Properties

Safety Information

MSDS Link