Molecule

ID:59303

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆O₆
Molecular Mass
220.21974
Exact Mass
220.09468823
Charge
0
InChI
InChI=1S/C9H16O6/c1-3-14-7(12)9(5-10,6-11)8(13)15-4-2/h10-11H,3-6H2,1-2H3
InChIKey
WIOHBOKEUIHYIC-UHFFFAOYSA-N
Canonic Smiles
OCC(C(=O)OCC)(C(=O)OCC)CO
Isomeric Smiles
C(=O)(C(C(=O)OCC)(CO)CO)OCC
Calculated Properties
JChem
Acid pKa
14.264538
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.788255
LogD (pH = 7.4)
-0.78825504
Log P
-0.788255
Molar Refractivity
50.6481
Polarizability
20.264492
Polar Surface Area
93.06
Rotatable Bonds
8
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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