Molecule

ID:103900

General Information
Structure
MolImage
Molecular Formula
C₄H₁₄Mg₆O₂₁
Molecular Mass
543.97136
Exact Mass
541.91300767
Charge
0
InChI
InChI=1S/4CH2O3.6Mg.9H2O/c4*2-1(3)4;;;;;;;;;;;;;;;/h4*(H2,2,3,4);;;;;;;9*1H2/q;;;;6*+2;;;;;;;;;/p-12
InChIKey
JTYFUTGCRKGGGD-UHFFFAOYSA-B
Canonic Smiles
[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-].O[Mg]O.O[Mg]O.O.O.O.O.O.[Mg+2].[Mg+2].[Mg+2].[Mg+2]
Isomeric Smiles
O.O.O.O.O.[Mg+2].[Mg+2].[Mg+2].[Mg+2].O[Mg]O.O[Mg]O.[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-]
Calculated Properties
JChem
Acid pKa
6.0525417
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.142811
LogD (pH = 7.4)
-1.1138874
Log P
0.25005138
Molar Refractivity
31.1724
Polarizability
3.6386902
Polar Surface Area
63.19
Rotatable Bonds
0
Lipinski's Rule of Five
false
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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