Molecule

ID:108562

General Information
Structure
MolImage
Molecular Formula
C₂₇H₅₂O₅
Molecular Mass
456.69878
Exact Mass
456.38147476
Charge
0
InChI
InChI=1S/C27H52O5/c1-3-5-7-9-11-13-15-17-19-21-26(29)31-23-25(28)24-32-27(30)22-20-18-16-14-12-10-8-6-4-2/h25,28H,3-24H2,1-2H3
InChIKey
KUVAEMGNHJQSMH-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)O
Isomeric Smiles
CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC
Calculated Properties
JChem
Acid pKa
13.631222
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
8.446545
LogD (pH = 7.4)
8.446545
Log P
8.446545
Molar Refractivity
130.8909
Polarizability
52.60437
Polar Surface Area
72.83
Rotatable Bonds
26
Lipinski's Rule of Five
false
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
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References
Bioactivity
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