Molecule

ID:105604

General Information
Structure
MolImage
Molecular Formula
C₂₃H₄₂O₅
Molecular Mass
398.57658
Exact Mass
398.30322444
Charge
0
InChI
InChI=1S/C23H42O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)27-20-22(19-24)28-21(2)25/h10-11,22,24H,3-9,12-20H2,1-2H3
InChIKey
PWTCCMJTPHCGMS-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC/C=C/CCCCCCCC(=O)OCC(OC(=O)C)CO
Isomeric Smiles
CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CO)OC(=O)C
Calculated Properties
JChem
Acid pKa
14.577799
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.050381
LogD (pH = 7.4)
6.0503807
Log P
6.050381
Molar Refractivity
113.5776
Polarizability
44.997517
Polar Surface Area
72.83
Rotatable Bonds
21
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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