Molecule

ID:132474

General Information
Structure
MolImage
Molecular Formula
C₅₁H₉₂O₆
Molecular Mass
801.27258
Exact Mass
800.68939066
Charge
0
InChI
InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19-24,48H,4-18,25-47H2,1-3H3/b22-19+,23-20+,24-21+
InChIKey
SKGWNZXOCSYJQL-IKVQWSBMSA-N
Canonic Smiles
CCCCCC/C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C/CCCCCC)COC(=O)CCCCCCC/C=C/CCCCCC
Isomeric Smiles
CCCCCC/C=C/CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C/CCCCCC)COC(=O)CCCCCCC/C=C/CCCCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
17.838383
LogD (pH = 7.4)
17.838383
Log P
17.838383
Molar Refractivity
244.6401
Polarizability
96.27088
Polar Surface Area
78.9
Rotatable Bonds
47
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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