Molecule

ID:132257

General Information
Structure
MolImage
Molecular Formula
C₄₅H₈₀O₆
Molecular Mass
717.1131
Exact Mass
716.59549028
Charge
0
InChI
InChI=1S/C45H80O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-43(46)49-40-42(51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h13-18,42H,4-12,19-41H2,1-3H3/b16-13-,17-14-,18-15-
InChIKey
JNMDCUOOYCRSIP-WLFVLELZSA-N
Canonic Smiles
CCCC/C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\CCCC
Isomeric Smiles
CCCC/C=C\CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\CCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
15.170971
LogD (pH = 7.4)
15.170971
Log P
15.170971
Molar Refractivity
217.0341
Polarizability
85.202225
Polar Surface Area
78.9
Rotatable Bonds
41
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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