Molecule

ID:132554

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)43-35-37(40)36-44-39(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
IZHVBANLECCAGF-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)O
Isomeric Smiles
CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)O
Calculated Properties
JChem
Acid pKa
13.631222
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
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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