Molecule

ID:130587

General Information
Structure
MolImage
Molecular Formula
C₅H₆Na₂O₅
Molecular Mass
192.07768
Exact Mass
192.00106185
Charge
0
InChI
InChI=1S/C5H8O5.2Na/c6-3(5(9)10)1-2-4(7)8;;/h3,6H,1-2H2,(H,7,8)(H,9,10);;/q;2*+1/p-2/t3-;;/m1../s1
InChIKey
DZHFTEDSQFPDPP-HWYNEVGZSA-L
Canonic Smiles
[O-]C(=O)CC[C@H](C(=O)[O-])O.[Na+].[Na+]
Isomeric Smiles
C(CC(=O)[O-])[C@H](C(=O)[O-])O.[Na+].[Na+]
Calculated Properties
JChem
Acid pKa
3.276486
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-4.3875756
LogD (pH = 7.4)
-7.3476586
Log P
-0.8249802
Molar Refractivity
51.3044
Polarizability
11.659656
Polar Surface Area
100.49
Rotatable Bonds
4
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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