Molecule

ID:134140

General Information
Structure
MolImage
Molecular Formula
C₂₄H₄₄O₆
Molecular Mass
428.60256
Exact Mass
428.31378913
Charge
0
InChI
InChI=1S/C24H44O6/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/h9-10,20-21,23-26,28H,2-8,11-19H2,1H3/b10-9-/t20-,21+,23+,24+/m0/s1
InChIKey
NWGKJDSIEKMTRX-AAZCQSIUSA-N
Canonic Smiles
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H]([C@H]1OC[C@@H]([C@H]1O)O)O
Isomeric Smiles
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H]([C@@H]1[C@@H]([C@H](CO1)O)O)O
Calculated Properties
JChem
Acid pKa
12.746294
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
4.8799543
LogD (pH = 7.4)
4.8799524
Log P
4.8799543
Molar Refractivity
118.8035
Polarizability
47.28733
Polar Surface Area
96.22
Rotatable Bonds
19
Lipinski's Rule of Five
true
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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