Molecule

ID:80394

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆O₇
Molecular Mass
330.37344
Exact Mass
330.16785317
Charge
0
InChI
InChI=1S/C16H26O7/c1-5-21-13(18)8-10-16(12(4)17,15(20)23-7-3)11-9-14(19)22-6-2/h5-11H2,1-4H3
InChIKey
KSKJPRIWCBZHFF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(=O)C)(CCC(=O)OCC)CCC(=O)OCC
Isomeric Smiles
O=C(C(CCC(=O)OCC)(CCC(=O)OCC)C(=O)C)OCC
Calculated Properties
JChem
Acid pKa
18.344427
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.7434059
LogD (pH = 7.4)
1.7434059
Log P
1.7434059
Molar Refractivity
81.9023
Polarizability
32.68555
Polar Surface Area
95.97
Rotatable Bonds
14
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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