Molecule

ID:111560

General Information
Structure
MolImage
Molecular Formula
C₆H₁₆O₉Zn
Molecular Mass
297.56584
Exact Mass
296.00857409
Charge
0
InChI
InChI=1S/2C3H6O3.3H2O.Zn/c2*1-2(4)3(5)6;;;;/h2*2,4H,1H3,(H,5,6);3*1H2;/q;;;;;+2/p-2
InChIKey
KWYJWINJFMIDIE-UHFFFAOYSA-L
Canonic Smiles
CC(C(=O)[O-])O.CC(C(=O)[O-])O.O.O.O.[Zn+2]
Isomeric Smiles
O.O.O.[Zn+2].CC(O)C(=O)[O-].CC(O)C(=O)[O-]
Calculated Properties
JChem
Acid pKa
3.7849424
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.1885695
LogD (pH = 7.4)
-3.7410624
Log P
-0.4718295
Molar Refractivity
29.6769
Polarizability
7.4274864
Polar Surface Area
60.36
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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