Molecule

ID:108663

General Information
Structure
MolImage
Molecular Formula
C₅₁H₁₀₀O₅
Molecular Mass
793.3367
Exact Mass
792.7570763
Charge
0
InChI
InChI=1S/C51H100O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-54-47-49(56-51(53)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)48-55-50(52)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h49H,4-48H2,1-3H3
InChIKey
PPDBIVVWNXSKCW-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCOCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC
Isomeric Smiles
CCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
19.304943
LogD (pH = 7.4)
19.304943
Log P
19.304943
Molar Refractivity
241.5357
Polarizability
96.93734
Polar Surface Area
61.83
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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