Molecule

ID:106081

General Information
Structure
MolImage
Molecular Formula
C₂₄H₄₆O₆
Molecular Mass
430.61844
Exact Mass
430.32943919
Charge
0
InChI
InChI=1S/C24H46O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)29-19-21(26)24-23(28)20(25)18-30-24/h20-21,23-26,28H,2-19H2,1H3
InChIKey
HVUMOYIDDBPOLL-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCC(=O)OCC(C1OCC(C1O)O)O
Isomeric Smiles
CCCCCCCCCCCCCCCCCC(=O)OCC(O)C1OCC(O)C1O
Calculated Properties
JChem
Acid pKa
12.746294
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
5.241876
LogD (pH = 7.4)
5.241874
Log P
5.241876
Molar Refractivity
117.6869
Polarizability
47.5313
Polar Surface Area
96.22
Rotatable Bonds
20
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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