Molecule

ID:77224

General Information
Structure
MolImage
Molecular Formula
C₄H₁₆Na₂O₁₀
Molecular Mass
270.14338
Exact Mass
270.05388527
Charge
0
InChI
InChI=1S/C4H6O4.2Na.6H2O/c5-3(6)1-2-4(7)8;;;;;;;;/h1-2H2,(H,5,6)(H,7,8);;;6*1H2/q;2*+1;;;;;;/p-2
InChIKey
ZBTUYCUNQBRXOR-UHFFFAOYSA-L
Canonic Smiles
[O-]C(=O)CCC(=O)[O-].O.O.O.O.O.O.[Na+].[Na+]
Isomeric Smiles
O=C(CCC(=O)[O-])[O-].O.O.O.O.O.O.[Na+].[Na+]
Calculated Properties
JChem
Acid pKa
3.5541666
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-2.5536554
LogD (pH = 7.4)
-5.4738803
Log P
-0.39848298
Molar Refractivity
45.2112
Polarizability
9.14473
Polar Surface Area
80.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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