Molecule

ID:133824

General Information
Structure
MolImage
Molecular Formula
C₄₀H₇₉NO₈
Molecular Mass
702.05716
Exact Mass
701.58056849
Charge
0
InChI
InChI=1S/C40H79NO8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(32-48-40-39(47)38(46)37(45)35(31-42)49-40)41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-35,37-40,42-43,45-47H,3-32H2,1-2H3,(H,41,44)
InChIKey
BLGKYYVFGMKTEZ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCC(=O)NC(C(CCCCCCCCCCCCCCC)O)COC1OC(CO)C(C(C1O)O)O
Isomeric Smiles
CCCCCCCCCCCCCCCC(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCCCC)O
Calculated Properties
JChem
Acid pKa
12.191472
H Acceptors
8
H Donor
6
LogD (pH = 5.5)
9.300532
LogD (pH = 7.4)
9.300527
Log P
9.300533
Molar Refractivity
197.2264
Polarizability
79.36428
Polar Surface Area
148.71
Rotatable Bonds
34
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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