Molecule

ID:129937

General Information
Structure
MolImage
Molecular Formula
C₃₅H₅₈O₆
Molecular Mass
574.83142
Exact Mass
574.42333958
Charge
0
InChI
InChI=1S/C35H58O6/c1-24(2)12-9-13-25(3)14-10-15-26(4)16-11-20-35(8)21-19-30-29(7)33(27(5)28(6)34(30)41-35)40-32(38)18-17-31(37)39-23-22-36/h24-26,36H,9-23H2,1-8H3
InChIKey
AOBORMOPSGHCAX-UHFFFAOYSA-N
Canonic Smiles
OCCOC(=O)CCC(=O)Oc1c(C)c(C)c2c(c1C)CCC(O2)(C)CCCC(CCCC(CCCC(C)C)C)C
Isomeric Smiles
O=C(OCCO)CCC(=O)Oc1c(c(c2OC(CCc2c1C)(C)CCCC(C)CCCC(C)CCCC(C)C)C)C
Calculated Properties
JChem
Acid pKa
15.096552
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
9.699199
LogD (pH = 7.4)
9.699199
Log P
9.699199
Molar Refractivity
166.4803
Polarizability
65.50169
Polar Surface Area
82.06
Rotatable Bonds
20
Lipinski's Rule of Five
false
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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