Molecule

ID:128698

General Information
Structure
MolImage
Molecular Formula
C₂₈H₅₈O₉
Molecular Mass
538.75472
Exact Mass
538.40808344
Charge
0
InChI
InChI=1S/C28H58O9/c1-2-3-4-5-6-7-8-9-10-11-13-30-15-17-32-19-21-34-23-25-36-27-28-37-26-24-35-22-20-33-18-16-31-14-12-29/h29H,2-28H2,1H3
InChIKey
YYELLDKEOUKVIQ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO
Isomeric Smiles
O(CCOCCOCCCCCCCCCCCC)CCOCCOCCOCCOCCOCCO
Calculated Properties
JChem
LogD (pH = 7.4)
3.99
LogD (pH = 5.5)
3.99
Log P
3.99
Rotatable Bonds
34
H Donor
1
H Acceptors
9
Lipinski's Rule of Five
false
Acid pKa
15.12
Polar Surface Area
94.07
Polarizability
69.10
Molar Refractivity
147.29
LOG S
-4.27
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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