Molecule

ID:112244

General Information
Structure
MolImage
Molecular Formula
C₃₀H₅₆O₆
Molecular Mass
512.76204
Exact Mass
512.40768951
Charge
0
InChI
InChI=1S/C30H56O6/c1-4-7-10-13-16-19-22-28(31)34-25-27(36-30(33)24-21-18-15-12-9-6-3)26-35-29(32)23-20-17-14-11-8-5-2/h27H,4-26H2,1-3H3
InChIKey
YRIMSXJXBHUHJT-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC
Isomeric Smiles
CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC)OC(=O)CCCCCCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
9.588205
LogD (pH = 7.4)
9.588205
Log P
9.588205
Molar Refractivity
144.6693
Polarizability
58.275734
Polar Surface Area
78.9
Rotatable Bonds
29
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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