Molecule

ID:70636

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄MgO₁₀
Molecular Mass
294.49576
Exact Mass
294.04373835
Charge
0
InChI
InChI=1S/2C4H8O5.Mg/c2*5-1-2(6)3(7)4(8)9;/h2*2-3,5-7H,1H2,(H,8,9);/q;;+2/p-2/t2*2-,3+;/m00./s1
InChIKey
YVJOHOWNFPQSPP-BALCVSAKSA-L
Canonic Smiles
OC[C@@H]([C@H](C(=O)[O-])O)O.OC[C@@H]([C@H](C(=O)[O-])O)O.[Mg+2]
Isomeric Smiles
[Mg+2].C(=O)([C@@H]([C@H](CO)O)O)[O-].C(=O)([C@@H]([C@H](CO)O)O)[O-]
Calculated Properties
JChem
Acid pKa
3.4007287
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-4.2359514
LogD (pH = 7.4)
-5.551807
Log P
-2.1490743
Molar Refractivity
37.1831
Polarizability
10.67311
Polar Surface Area
100.82
Rotatable Bonds
6
Lipinski's Rule of Five
true
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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