Molecule

ID:107509

General Information
Structure
MolImage
Molecular Formula
C₂₄H₄₄O₆
Molecular Mass
428.60256
Exact Mass
428.31378913
Charge
0
InChI
InChI=1S/C24H44O6/c1-4-7-10-13-16-22(25)28-19-21(30-24(27)18-15-12-9-6-3)20-29-23(26)17-14-11-8-5-2/h21H,4-20H2,1-3H3
InChIKey
PJHKBYALYHRYSK-UHFFFAOYSA-N
Canonic Smiles
CCCCCCC(=O)OC(COC(=O)CCCCCC)COC(=O)CCCCCC
Isomeric Smiles
CCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
6.9207935
LogD (pH = 7.4)
6.9207935
Log P
6.9207935
Molar Refractivity
117.0633
Polarizability
47.23721
Polar Surface Area
78.9
Rotatable Bonds
23
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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