Molecule

ID:111785

General Information
Structure
MolImage
Molecular Formula
C₃₉H₇₆O₅
Molecular Mass
625.01774
Exact Mass
624.56927553
Charge
0
InChI
InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3
InChIKey
UHUSDOQQWJGJQS-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCCCC)CO
Isomeric Smiles
CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCC
Calculated Properties
JChem
Acid pKa
14.577784
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
13.781368
LogD (pH = 7.4)
13.781368
Log P
13.781368
Molar Refractivity
186.1029
Polarizability
74.723885
Polar Surface Area
72.83
Rotatable Bonds
38
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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