Molecule

ID:132603

General Information
Structure
MolImage
Molecular Formula
C₃₄H₆₂O₁₂
Molecular Mass
662.84888
Exact Mass
662.42412742
Charge
0
InChI
InChI=1S/C34H62O12/c1-3-4-5-6-7-8-9-10-11-12-13-34(2,32(35)45-28-30-26-41-20-18-37-14-16-39-22-24-43-30)33(36)46-29-31-27-42-21-19-38-15-17-40-23-25-44-31/h30-31H,3-29H2,1-2H3
InChIKey
FJSZDECKJYYBGE-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCC(C(=O)OCC1COCCOCCOCCO1)(C(=O)OCC1COCCOCCOCCO1)C
Isomeric Smiles
CCCCCCCCCCCCC(C)(C(=O)OCC1COCCOCCOCCO1)C(=O)OCC1COCCOCCOCCO1
Calculated Properties
JChem
H Acceptors
10
H Donor
0
LogD (pH = 5.5)
5.350607
LogD (pH = 7.4)
5.350607
Log P
5.350607
Molar Refractivity
171.9629
Polarizability
69.073105
Polar Surface Area
126.44
Rotatable Bonds
19
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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