Molecule

ID:1815

General Information
Structure
Molecular Formula
C₂₀H₄₂O₁₁
Molecular Mass
458.54088
Exact Mass
458.27271216
Charge
0
InChI
InChI=1S/C20H42O11/c21-1-3-23-5-7-25-9-11-27-13-15-29-17-19-31-20-18-30-16-14-28-12-10-26-8-6-24-4-2-22/h21-22H,1-20H2
InChIKey
DTPCFIHYWYONMD-UHFFFAOYSA-N
Canonic Smiles
OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
Isomeric Smiles
OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
Calculated Properties
JChem
LogD (pH = 7.4)
-1.63
LogD (pH = 5.5)
-1.63
Log P
-1.63
Rotatable Bonds
28
H Donor
2
H Acceptors
11
Lipinski's Rule of Five
false
Acid pKa
14.82
Polar Surface Area
123.53
Polarizability
54.22
Molar Refractivity
113.95
LOG S
0.87
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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