Molecule

ID:134643

General Information
Structure
MolImage
Molecular Formula
C₄₇H₉₀O₆
Molecular Mass
752.20655484
Exact Mass
751.67709544
Charge
0
InChI
InChI=1S/C47H90O6/c1-4-7-10-13-15-17-19-21-23-25-27-29-31-34-36-39-45(48)51-42-44(53-47(50)41-38-33-12-9-6-3)43-52-46(49)40-37-35-32-30-28-26-24-22-20-18-16-14-11-8-5-2/h44H,4-43H2,1-3H3/i47+1
InChIKey
ROSIALNPQYBSCH-RBMVYKJLSA-N
Canonic Smiles
CCCCCCC[13C](=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
Isomeric Smiles
CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)O[13C](=O)CCCCCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
17.145872
LogD (pH = 7.4)
17.145872
Log P
17.145872
Molar Refractivity
222.8863
Polarizability
89.60583
Polar Surface Area
78.9
Rotatable Bonds
46
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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