Molecule
ID:135463
General Information
Molecular Formula
C₂₆H₄₆O₈
Molecular Mass
486.63864
Exact Mass
486.31926843
Charge
0
InChI
InChI=1S/C26H46O8/c1-5-8-11-14-17-31-23(28)20-26(34-22(4)27,25(30)33-19-16-13-10-7-3)21-24(29)32-18-15-12-9-6-2/h5-21H2,1-4H3
InChIKey
TUUQISRYLMFKOG-UHFFFAOYSA-N
Canonic Smiles
CCCCCCOC(=O)C(OC(=O)C)(CC(=O)OCCCCCC)CC(=O)OCCCCCC
Isomeric Smiles
CCCCCCOC(=O)CC(CC(=O)OCCCCCC)(C(=O)OCCCCCC)OC(=O)C
Calculated Properties
JChem
Acid pKa
16.184124
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
6.4285626
LogD (pH = 7.4)
6.4285626
Log P
6.195229
Molar Refractivity
128.3095
Polarizability
51.723125
Polar Surface Area
105.2
Rotatable Bonds
25
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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