Molecule

ID:132735

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₂O₅
Molecular Mass
352.46508
Exact Mass
352.22497412
Charge
0
InChI
InChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,17-19,21-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,13-9+,14-10+/t17-,18+,19-/m0/s1
InChIKey
IXAQOQZEOGMIQS-SSQFXEBMSA-N
Canonic Smiles
CCCCC[C@@H](/C=C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)O)O
Isomeric Smiles
CCCCC[C@@H](/C=C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)O)O
Calculated Properties
JChem
Acid pKa
4.4753394
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
1.9881325
LogD (pH = 7.4)
0.22182968
Log P
3.050645
Molar Refractivity
104.3465
Polarizability
38.97005
Polar Surface Area
97.99
Rotatable Bonds
14
Lipinski's Rule of Five
true
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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