Molecule

ID:134943

General Information
Structure
MolImage
Molecular Formula
C₅₁H₉₈O₆
Molecular Mass
807.32022
Exact Mass
806.73634086
Charge
0
InChI
InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3
InChIKey
PVNIQBQSYATKKL-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC
Isomeric Smiles
CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
18.924149
LogD (pH = 7.4)
18.924149
Log P
18.924149
Molar Refractivity
241.2903
Polarizability
96.9837
Polar Surface Area
78.9
Rotatable Bonds
50
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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