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551-64-4 molecular structure
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zinc(2+) ion 2,3-dihydroxybutanedioate

ChemBase ID: 111615
Molecular Formular: C4H4O6Zn
Molecular Mass: 213.45096
Monoisotopic Mass: 211.92992985
SMILES and InChIs

SMILES:
[Zn+2].OC(C(O)C(=O)[O-])C(=O)[O-]
Canonical SMILES:
OC(C(C(=O)[O-])O)C(=O)[O-].[Zn+2]
InChI:
InChI=1S/C4H6O6.Zn/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+2/p-2
InChIKey:
VRGNUPCISFMPEM-UHFFFAOYSA-L

Cite this record

CBID:111615 http://www.chembase.cn/molecule-111615.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
zinc(2+) ion 2,3-dihydroxybutanedioate
IUPAC Traditional name
zinc, ion (zn2+) tartrate
Synonyms
ZINC TARTRATE
CAS Number
551-64-4
PubChem SID
162090802
PubChem CID
9815755

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05220024 external link Add to cart Please log in.
Data Source Data ID
PubChem 9815755 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.719041  H Acceptors
H Donor LogD (pH = 5.5) -5.323427 
LogD (pH = 7.4) -7.890869  Log P -1.8287998 
Molar Refractivity 47.8876 cm3 Polarizability 10.630576 Å3
Polar Surface Area 120.72 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
R:15-17-58 expand Show data source
Safety Statements
S:7/8-61 expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05220024 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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