Molecule

ID:131046

General Information
Structure
MolImage
Molecular Formula
C₂₃H₄₄O₅
Molecular Mass
400.59246
Exact Mass
400.31887451
Charge
0
InChI
InChI=1S/C23H44O5/c1-3-5-7-9-11-13-15-17-22(25)27-19-21(24)20-28-23(26)18-16-14-12-10-8-6-4-2/h21,24H,3-20H2,1-2H3
InChIKey
BPYWNJQNVNYQSQ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)O
Isomeric Smiles
CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)O
Calculated Properties
JChem
Acid pKa
13.631222
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.6682696
LogD (pH = 7.4)
6.6682696
Log P
6.6682696
Molar Refractivity
112.4869
Polarizability
45.23985
Polar Surface Area
72.83
Rotatable Bonds
22
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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