Molecule

ID:130895

General Information
Structure
MolImage
Molecular Formula
C₃₇H₇₂O₅
Molecular Mass
596.96458
Exact Mass
596.5379754
Charge
0
InChI
InChI=1S/C37H72O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3
InChIKey
BFTGWUUHOMAGPO-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)O
Isomeric Smiles
CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)O
Calculated Properties
JChem
Acid pKa
13.631222
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
12.892231
LogD (pH = 7.4)
12.892231
Log P
12.892231
Molar Refractivity
176.9009
Polarizability
71.0355
Polar Surface Area
72.83
Rotatable Bonds
36
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
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Molecule Details
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References
Bioactivity
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