Molecule

ID:133507

General Information
Structure
MolImage
Molecular Formula
C₇₀H₁₃₆O₁₀
Molecular Mass
1137.82284
Exact Mass
1137.01335055
Charge
0
InChI
InChI=1S/2C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-31-33(36)32-40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h2*33,36H,3-32H2,1-2H3
InChIKey
UJTQAHPLAOYWPB-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)CO.CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)O
Isomeric Smiles
CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)O
Calculated Properties
JChem
Acid pKa
14.577784
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
12.003094
LogD (pH = 7.4)
12.003094
Log P
12.003094
Molar Refractivity
167.6989
Polarizability
67.347694
Polar Surface Area
72.83
Rotatable Bonds
68
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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