Molecule

ID:104006

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₆MgO₁₆
Molecular Mass
474.65164
Exact Mass
474.10712645
Charge
0
InChI
InChI=1S/2C7H14O8.Mg/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2*2-6,8-13H,1H2,(H,14,15);/q;;+2/p-2
InChIKey
MMSNUIOBUPTENW-UHFFFAOYSA-L
Canonic Smiles
OCC(C(C(C(C(C(=O)O[Mg]OC(=O)C(C(C(C(C(CO)O)O)O)O)O)O)O)O)O)O
Isomeric Smiles
OCC(O)C(O)C(O)C(O)C(O)C(=O)O[Mg]OC(=O)C(O)C(O)C(O)C(O)C(O)CO
Calculated Properties
JChem
Acid pKa
11.477174
H Acceptors
14
H Donor
12
LogD (pH = 5.5)
-9.1008005
LogD (pH = 7.4)
-9.100837
Log P
-9.1008
Molar Refractivity
86.6118
Polarizability
38.51736
Polar Surface Area
295.36
Rotatable Bonds
16
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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