Molecule

ID:128071

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₂O₅
Molecular Mass
352.46508
Exact Mass
352.22497412
Charge
0
InChI
InChI=1S/C20H32O5/c1-2-3-8-14-18(22)19(23)15-10-7-5-4-6-9-12-17(21)13-11-16-20(24)25/h4-7,9-10,12,15,17-19,21-23H,2-3,8,11,13-14,16H2,1H3,(H,24,25)/t17-,18+,19-/m1/s1
InChIKey
UXVRTOKOJOMENI-CEXWTWQISA-N
Canonic Smiles
CCCCC[C@@H]([C@@H](C=C/C=C/C=C/C=C/[C@H](CCCC(=O)O)O)O)O
Isomeric Smiles
O=C(O)CCC[C@H](O)/C=C/C=C/C=C/C=C[C@@H](O)[C@@H](O)CCCCC
Calculated Properties
JChem
Acid pKa
4.6463447
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
2.140973
LogD (pH = 7.4)
0.36350584
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
No Data Available
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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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