Molecule

ID:295259

General Information
Structure
MolImage
Molecular Formula
C₈H₄Na₂O₁₂Sb₂
Molecular Mass
581.6097
Exact Mass
579.75744413
Charge
0
InChI
InChI=1S/2C4H4O6.2Na.2Sb/c2*5-1(3(7)8)2(6)4(9)10;;;;/h2*1-2H,(H,7,8)(H,9,10);;;;/q2*-2;2*+1;2*+3/p-4/t2*1-,2?;;;;/m11..../s1
InChIKey
UZVPADYOEPQJSP-HSCDOKNESA-J
Canonic Smiles
O=C1O[Sb@-]23O[C@@H]1[C@@H]1O[Sb@@-]4(OC1=O)OC(=O)[C@@H]([C@H](O3)C(=O)O2)O4.[Na+].[Na+]
Isomeric Smiles
O=C1O[Sb@@-]23O[C@@H]1[C@@H]1O[Sb@@-]4(OC1=O)OC(=O)[C@@H]([C@H](O2)C(=O)O3)O4.[Na+].[Na+]
Calculated Properties
JChem
Acid pKa
11.71152
H Acceptors
8
H Donor
0
LogD (pH = 5.5)
1.9143997
LogD (pH = 7.4)
1.9143788
Log P
-0.1856
Molar Refractivity
43.8588
Polarizability
30.951506
Polar Surface Area
142.12
Rotatable Bonds
0
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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