Molecule

ID:112269

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₆O₁₆Zn
Molecular Mass
515.72664
Exact Mass
514.05122675
Charge
0
InChI
InChI=1S/2C7H14O8.Zn/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/t2*2-,3-,4+,5-,6-;/m11./s1
InChIKey
OSNZINYBJQTKQS-XBQZYUPDSA-L
Canonic Smiles
OC[C@H]([C@H]([C@@H]([C@H]([C@H](C(=O)O[Zn]OC(=O)[C@@H]([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O)O)O)O
Isomeric Smiles
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O[Zn]OC(=O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
Calculated Properties
JChem
Acid pKa
11.349359
H Acceptors
14
H Donor
12
LogD (pH = 5.5)
-9.0508
LogD (pH = 7.4)
-9.050849
Log P
-9.0508
Molar Refractivity
86.6118
Polarizability
39.97417
Polar Surface Area
295.36
Rotatable Bonds
16
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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