Molecule

ID:111483

General Information
Structure
MolImage
Molecular Formula
C₂₃H₄₆O₄
Molecular Mass
386.60894
Exact Mass
386.33960995
Charge
0
InChI
InChI=1S/C23H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26)27-21-23(2,19-24)20-25/h24-25H,3-21H2,1-2H3
InChIKey
XVKLFAFJGQHUGZ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)C
Isomeric Smiles
CCCCCCCCCCCCCCCCCC(=O)OCC(C)(CO)CO
Calculated Properties
JChem
Acid pKa
14.676017
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
6.352376
LogD (pH = 7.4)
6.352376
Log P
6.352376
Molar Refractivity
112.7464
Polarizability
45.093105
Polar Surface Area
66.76
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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