Molecule

ID:103216

General Information
Structure
MolImage
Molecular Formula
C₃₅H₆₈O₅
Molecular Mass
568.91142
Exact Mass
568.50667528
Charge
0
InChI
InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3
InChIKey
JEJLGIQLPYYGEE-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)CO
Isomeric Smiles
CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
12.00
LogD (pH = 5.5)
12.00
Log P
12.00
Rotatable Bonds
34
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
false
Acid pKa
14.58
Polar Surface Area
72.83
Polarizability
76.14
Molar Refractivity
167.70
LOG S
-13.27
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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