Molecule

ID:130999

General Information
Structure
MolImage
Molecular Formula
C₂₁H₃₈O₆
Molecular Mass
386.52282
Exact Mass
386.26683894
Charge
0
InChI
InChI=1S/C21H38O6/c1-4-7-10-13-19(22)25-16-18(27-21(24)15-12-9-6-3)17-26-20(23)14-11-8-5-2/h18H,4-17H2,1-3H3
InChIKey
MAYCICSNZYXLHB-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(=O)OC(COC(=O)CCCCC)COC(=O)CCCCC
Isomeric Smiles
CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
5.59
LogD (pH = 5.5)
5.59
Log P
5.59
Rotatable Bonds
20
H Donor
0
H Acceptors
3
Lipinski's Rule of Five
false
Acid pKa
-6.57
Polar Surface Area
78.90
Polarizability
46.03
Molar Refractivity
103.26
LOG S
-6.14
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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