Molecule

ID:85299

General Information
Structure
MolImage
Molecular Formula
C₂₉H₃₈O₉Si
Molecular Mass
558.69212
Exact Mass
558.22850933
Charge
0
InChI
InChI=1S/C29H38O9Si/c1-19(30)35-25-24(38-28(33-7)27(37-21(3)32)26(25)36-20(2)31)18-34-39(29(4,5)6,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,24-28H,18H2,1-7H3/t24-,25-,26-,27+,28-/m1/s1
InChIKey
YEJYGCSQLCXHSL-VNFNVIIVSA-N
Canonic Smiles
CO[C@@H]1O[C@H](CO[Si](C(C)(C)C)(c2ccccc2)c2ccccc2)[C@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
Isomeric Smiles
O1[C@@H]([C@H]([C@H]([C@@H]([C@@H]1OC)OC(=O)C)OC(=O)C)OC(=O)C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
4.621
LogD (pH = 7.4)
4.621
Log P
4.621
Molar Refractivity
137.3656
Polarizability
57.85854
Polar Surface Area
106.59
Rotatable Bonds
13
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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