Molecule

ID:131596

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₆O₅
Molecular Mass
344.48614
Exact Mass
344.25627425
Charge
0
InChI
InChI=1S/C19H36O5/c1-3-5-7-9-11-13-18(21)23-16-17(15-20)24-19(22)14-12-10-8-6-4-2/h17,20H,3-16H2,1-2H3/t17-/m0/s1
InChIKey
ZQBULZYTDGUSSK-KRWDZBQOSA-N
Canonic Smiles
CCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC)CO
Isomeric Smiles
CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC
Calculated Properties
JChem
Acid pKa
14.577784
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.889995
LogD (pH = 7.4)
4.889995
Log P
4.889995
Molar Refractivity
94.0829
Polarizability
37.883293
Polar Surface Area
72.83
Rotatable Bonds
18
Lipinski's Rule of Five
true
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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