Molecule

ID:130914

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₄O₅
Molecular Mass
354.48096
Exact Mass
354.24062419
Charge
0
InChI
InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15?,16-,17?,19?/m1/s1
InChIKey
GMVPRGQOIOIIMI-KGVWXIMZSA-N
Canonic Smiles
CCCCCC(/C=C/C1C(O)CC(=O)[C@@H]1CCCCCCC(=O)O)O
Isomeric Smiles
CCCCCC(/C=C/C1[C@H](C(=O)CC1O)CCCCCCC(=O)O)O
Calculated Properties
JChem
Acid pKa
4.353232
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
2.4122984
LogD (pH = 7.4)
0.6635846
Log P
3.5871918
Molar Refractivity
98.3185
Polarizability
38.432873
Polar Surface Area
94.83
Rotatable Bonds
13
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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