Molecule

ID:131326

General Information
Structure
MolImage
Molecular Formula
C₄₉H₉₂O₆
Molecular Mass
777.25118
Exact Mass
776.68939066
Charge
0
InChI
InChI=1S/C49H92O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h23-24,46H,4-22,25-45H2,1-3H3/b24-23+
InChIKey
RSDIQTNCDWUNDP-WCWDXBQESA-N
Canonic Smiles
CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C/CCCCCCCC
Isomeric Smiles
CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
17.673088
LogD (pH = 7.4)
17.673088
Log P
17.673088
Molar Refractivity
233.2049
Polarizability
93.05652
Polar Surface Area
78.9
Rotatable Bonds
47
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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