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155788-75-3 molecular structure
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digadolinium(3+) ion trisulfate

ChemBase ID: 152897
Molecular Formular: Gd2O12S3
Molecular Mass: 602.6878
Monoisotopic Mass: 603.70339444
SMILES and InChIs

SMILES:
[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Gd+3].[Gd+3]
Canonical SMILES:
[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Gd+3].[Gd+3]
InChI:
InChI=1S/2Gd.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6
InChIKey:
QLAFITOLRQQGTE-UHFFFAOYSA-H

Cite this record

CBID:152897 http://www.chembase.cn/molecule-152897.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
digadolinium(3+) ion trisulfate
IUPAC Traditional name
digadolinium(3+) ion trisulfate
Synonyms
Gadolinium(III) sulfate
硫酸钆(III)
CAS Number
155788-75-3
MDL Number
MFCD00011025
PubChem SID
162247040
24880783
PubChem CID
166873

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
575143 external link Add to cart Please log in.
Data Source Data ID
PubChem 166873 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -3.034349  H Acceptors
H Donor LogD (pH = 5.5) -5.569452 
LogD (pH = 7.4) -5.594027  Log P -0.841552 
Molar Refractivity 11.5274 cm3 Polarizability 6.037845 Å3
Polar Surface Area 80.26 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
powder expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥99.99% trace metals basis expand Show data source
Linear Formula
Gd2(SO4)3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 575143 external link
Packaging
25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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