Molecule

ID:133271

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₄O₅
Molecular Mass
378.50236
Exact Mass
378.24062419
Charge
0
InChI
InChI=1S/C22H34O5/c1-8-20(5)12-14(24)16-21(6)11-9-10-19(3,4)17(21)15(25)18(26-13(2)23)22(16,7)27-20/h8,15-18,25H,1,9-12H2,2-7H3/t15-,16?,17-,18-,20-,21+,22-/m0/s1
InChIKey
ZKZMDXUDDJYAIB-OJPJTMFRSA-N
Canonic Smiles
C=C[C@@]1(C)CC(=O)C2[C@@](O1)(C)[C@@H](OC(=O)C)[C@H]([C@@H]1[C@]2(C)CCCC1(C)C)O
Isomeric Smiles
CC(=O)O[C@H]1[C@H]([C@@H]2[C@](CCCC2(C)C)(C2[C@@]1(O[C@@](CC2=O)(C)C=C)C)C)O
Calculated Properties
JChem
Acid pKa
13.803038
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.1784444
LogD (pH = 7.4)
3.1784441
Log P
3.1784444
Molar Refractivity
101.7066
Polarizability
40.983833
Polar Surface Area
72.83
Rotatable Bonds
3
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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