Molecule

ID:133925

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀O₉S
Molecular Mass
364.3682
Exact Mass
364.08280322
Charge
0
InChI
InChI=1S/C14H20O9S/c1-6(15)20-9-10(21-7(2)16)12(22-8(3)17)14(24-5)23-11(9)13(18)19-4/h9-12,14H,1-5H3
InChIKey
HHAWIPPOHLEARU-UHFFFAOYSA-N
Canonic Smiles
CSC1OC(C(=O)OC)C(C(C1OC(=O)C)OC(=O)C)OC(=O)C
Isomeric Smiles
CC(=O)OC1C(C(OC(C1OC(=O)C)SC)C(=O)OC)OC(=O)C
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
0.21112332
LogD (pH = 7.4)
0.21112332
Log P
0.21112332
Molar Refractivity
78.8858
Polarizability
32.923737
Polar Surface Area
114.43
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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