Molecule

ID:109740

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂O₈
Molecular Mass
318.31968
Exact Mass
318.13146766
Charge
0
InChI
InChI=1S/C14H22O8/c1-5-19-11(16)8-14(22-10(4)15,13(18)21-7-3)9-12(17)20-6-2/h5-9H2,1-4H3
InChIKey
WEAPVABOECTMGR-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(OC(=O)C)(CC(=O)OCC)CC(=O)OCC
Isomeric Smiles
CCOC(=O)CC(CC(=O)OCC)(OC(=O)C)C(=O)OCC
Calculated Properties
JChem
Acid pKa
16.185059
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.85987735
LogD (pH = 7.4)
0.85987735
Log P
0.626544
Molar Refractivity
73.3285
Polarizability
29.793436
Polar Surface Area
105.2
Rotatable Bonds
13
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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