Molecule

ID:104011

General Information
Structure
MolImage
Molecular Formula
C₃₄H₃₆O₆
Molecular Mass
540.64604
Exact Mass
540.25118887
Charge
0
InChI
InChI=1S/C34H36O6/c35-34-33(39-24-29-19-11-4-12-20-29)32(38-23-28-17-9-3-10-18-28)31(37-22-27-15-7-2-8-16-27)30(40-34)25-36-21-26-13-5-1-6-14-26/h1-20,30-35H,21-25H2
InChIKey
OGOMAWHSXRDAKZ-UHFFFAOYSA-N
Canonic Smiles
OC1OC(COCc2ccccc2)C(C(C1OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
Isomeric Smiles
OC1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
Calculated Properties
JChem
Acid pKa
11.343017
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
6.5378585
LogD (pH = 7.4)
6.53781
Log P
6.5378594
Molar Refractivity
153.3786
Polarizability
60.869534
Polar Surface Area
66.38
Rotatable Bonds
13
Lipinski's Rule of Five
false
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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