Molecule

ID:131288

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂O₉S
Molecular Mass
378.39478
Exact Mass
378.09845328
Charge
0
InChI
InChI=1S/C15H22O9S/c1-7(16)20-6-11-12(21-8(2)17)13(22-9(3)18)14(23-10(4)19)15(24-11)25-5/h11-15H,6H2,1-5H3
InChIKey
XWFUCHLBRWBKGN-UHFFFAOYSA-N
Canonic Smiles
CSC1OC(COC(=O)C)C(C(C1OC(=O)C)OC(=O)C)OC(=O)C
Isomeric Smiles
CC(=O)OCC1C(C(C(C(O1)SC)OC(=O)C)OC(=O)C)OC(=O)C
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
0.18608014
LogD (pH = 7.4)
0.18608014
Log P
0.18608014
Molar Refractivity
83.4008
Polarizability
34.73691
Polar Surface Area
114.43
Rotatable Bonds
10
Lipinski's Rule of Five
true
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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