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27774-13-6 molecular structure
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oxovanadiumbis(ylium) sulfate

ChemBase ID: 111530
Molecular Formular: O5SV
Molecular Mass: 163.0035
Monoisotopic Mass: 162.8906036
SMILES and InChIs

SMILES:
O=[V+2].[O-]S(=O)(=O)[O-]
Canonical SMILES:
[O-]S(=O)(=O)[O-].[V+2]=O
InChI:
InChI=1S/H2O4S.O.V/c1-5(2,3)4;;/h(H2,1,2,3,4);;/q;;+2/p-2
InChIKey:
UUUGYDOQQLOJQA-UHFFFAOYSA-L

Cite this record

CBID:111530 http://www.chembase.cn/molecule-111530.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
oxovanadiumbis(ylium) sulfate
IUPAC Traditional name
oxovanadium(IV) sulfate
Synonyms
VANADIUM SULFATE HYDRATE
CAS Number
27774-13-6
PubChem SID
162089389
PubChem CID
34007

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05219714 external link Add to cart Please log in.
Data Source Data ID
PubChem 34007 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 true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
RTECS
YW1925000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
R:25 expand Show data source
Safety Statements
S:28-36/37/39-45-53 expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05219714 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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