Molecule

ID:131349

General Information
Structure
MolImage
Molecular Formula
C₄₉H₉₄O₆
Molecular Mass
779.26706
Exact Mass
778.70504073
Charge
0
InChI
InChI=1S/C49H94O6/c1-4-7-10-13-16-19-22-24-27-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-26-21-18-15-12-9-6-3)55-49(52)43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3
InChIKey
JWVXCFSNEOMSHH-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC
Isomeric Smiles
CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
18.035011
LogD (pH = 7.4)
18.035011
Log P
18.035011
Molar Refractivity
232.0883
Polarizability
93.29458
Polar Surface Area
78.9
Rotatable Bonds
48
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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