Molecule

ID:111099

General Information
Structure
MolImage
Molecular Formula
C₂₆H₄₈O₆
Molecular Mass
456.65572
Exact Mass
456.34508926
Charge
0
InChI
InChI=1S/C26H48O6/c1-5-7-9-15-18-24(31-22(3)27)25(32-23(4)28)19-16-13-11-10-12-14-17-20-26(29)30-21-8-6-2/h24-25H,5-21H2,1-4H3
InChIKey
XXHXHNIARUEHIF-UHFFFAOYSA-N
Canonic Smiles
CCCCCCC(C(OC(=O)C)CCCCCCCCCC(=O)OCCCC)OC(=O)C
Isomeric Smiles
CCCCCCC(OC(=O)C)C(CCCCCCCCCC(=O)OCCCC)OC(=O)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
7.036142
LogD (pH = 7.4)
7.036142
Log P
7.036142
Molar Refractivity
126.2623
Polarizability
50.914864
Polar Surface Area
78.9
Rotatable Bonds
24
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
References
Bioactivity
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