Molecule

ID:135431

General Information
Structure
MolImage
Molecular Formula
C₂₆H₃₂O₆Si
Molecular Mass
468.61418
Exact Mass
468.19681528
Charge
0
InChI
InChI=1S/C26H32O6Si/c1-19(27)31-23-16-17-29-24(25(23)32-20(2)28)18-30-33(26(3,4)5,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-17,23-25H,18H2,1-5H3/t23-,24-,25-/m1/s1
InChIKey
HGWFRQHLOUXHGQ-UBFVSLLYSA-N
Canonic Smiles
CC(=O)O[C@H]1[C@@H](CO[Si](C(C)(C)C)(c2ccccc2)c2ccccc2)OC=C[C@H]1OC(=O)C
Isomeric Smiles
CC(=O)O[C@@H]1C=CO[C@@H]([C@@H]1OC(=O)C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
5.0758
LogD (pH = 7.4)
5.0758
Log P
5.0758
Molar Refractivity
121.3186
Polarizability
50.581997
Polar Surface Area
71.06
Rotatable Bonds
10
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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