Molecule

ID:130839

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄MgO₁₅
Molecular Mass
432.61496
Exact Mass
432.09656177
Charge
0
InChI
InChI=1S/2C6H12O7.Mg.H2O/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;/h2*2-5,7-11H,1H2,(H,12,13);;1H2/q;;+2;/p-2/t2*2-,3-,4+,5-;;/m11../s1
InChIKey
IAKLPCRFBAZVRW-XRDLMGPZSA-L
Canonic Smiles
OC[C@H]([C@H]([C@@H]([C@H](C(=O)O[Mg]OC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O)O.O
Isomeric Smiles
C([C@H]([C@H]([C@@H]([C@H](C(=O)O[Mg]OC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O)O)O.O
Calculated Properties
JChem
Acid pKa
11.488441
H Acceptors
12
H Donor
10
LogD (pH = 5.5)
-7.7558002
LogD (pH = 7.4)
-7.7558355
Log P
-7.7558
Molar Refractivity
74.6868
Polarizability
33.48715
Polar Surface Area
254.9
Rotatable Bonds
14
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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