Molecule

ID:109973

General Information
Structure
MolImage
Molecular Formula
C₂₄H₄₆O₅
Molecular Mass
414.61904
Exact Mass
414.33452457
Charge
0
InChI
InChI=1S/C24H46O5/c1-5-7-9-11-13-15-17-23(25)28-19-21(3)27-20-22(4)29-24(26)18-16-14-12-10-8-6-2/h21-22H,5-20H2,1-4H3
InChIKey
FJSNTQXNQNSZJS-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCC(=O)OCC(OCC(OC(=O)CCCCCCCC)C)C
Isomeric Smiles
CCCCCCCCC(=O)OCC(C)OCC(C)OC(=O)CCCCCCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
7.195642
LogD (pH = 7.4)
7.195642
Log P
7.195642
Molar Refractivity
117.2035
Polarizability
47.152782
Polar Surface Area
61.83
Rotatable Bonds
22
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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