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13266-82-5 molecular structure
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diyttrium(3+) ion nonahydrate trioxalate

ChemBase ID: 111582
Molecular Formular: C6H18O21Y2
Molecular Mass: 604.00622
Monoisotopic Mass: 603.8457536
SMILES and InChIs

SMILES:
O.O.O.O.O.O.O.O.O.[Y+3].[Y+3].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-]
Canonical SMILES:
[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].O.O.O.O.O.O.O.O.O.[Y+3].[Y+3]
InChI:
InChI=1S/3C2H2O4.9H2O.2Y/c3*3-1(4)2(5)6;;;;;;;;;;;/h3*(H,3,4)(H,5,6);9*1H2;;/q;;;;;;;;;;;;2*+3/p-6
InChIKey:
CTXJKXXQOORSKU-UHFFFAOYSA-H

Cite this record

CBID:111582 http://www.chembase.cn/molecule-111582.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
diyttrium(3+) ion nonahydrate trioxalate
IUPAC Traditional name
diyttrium(3+) nonahydrate trioxalate ion
Synonyms
YTTRIUM OXALATE
CAS Number
13266-82-5
PubChem SID
162089620
PubChem CID
3084136

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05219949 external link Add to cart Please log in.
Data Source Data ID
PubChem 3084136 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.3639908  H Acceptors
H Donor LogD (pH = 5.5) -5.101814 
LogD (pH = 7.4) -6.8848467  Log P -0.26375157 
Molar Refractivity 36.1128 cm3 Polarizability 5.6277657 Å3
Polar Surface Area 80.26 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Purity
99% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05219949 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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