Molecule

ID:131458

General Information
Structure
MolImage
Molecular Formula
C₂₁H₅₂O₆Si₅
Molecular Mass
541.06148
Exact Mass
540.26102204
Charge
0
InChI
InChI=1S/C21H52O6Si5/c1-28(2,3)22-16-17-18(24-29(4,5)6)19(25-30(7,8)9)20(26-31(10,11)12)21(23-17)27-32(13,14)15/h17-21H,16H2,1-15H3/t17-,18-,19+,20-,21-/m1/s1
InChIKey
PPFHNIVPOLWPCF-YMQHIKHWSA-N
Canonic Smiles
C[Si](O[C@H]1O[C@H](CO[Si](C)(C)C)[C@H]([C@@H]([C@H]1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)(C)C
Isomeric Smiles
C[Si](C)(C)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
7.4162
LogD (pH = 7.4)
7.4162
Log P
7.4162
Molar Refractivity
116.5529
Polarizability
57.548737
Polar Surface Area
55.38
Rotatable Bonds
11
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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