Molecule

ID:132729

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉FO₉
Molecular Mass
350.2936632
Exact Mass
350.10131041
Charge
0
InChI
InChI=1S/C14H19FO9/c1-6(16)20-5-10-11(21-7(2)17)12(22-8(3)18)13(14(15)24-10)23-9(4)19/h10-14H,5H2,1-4H3/t10-,11-,12+,13-,14+/m1/s1
InChIKey
JJXATNWYELAACC-RGDJUOJXSA-N
Canonic Smiles
CC(=O)OC[C@H]1O[C@H](F)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
Isomeric Smiles
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)F)OC(=O)C)OC(=O)C)OC(=O)C
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
-0.40770674
LogD (pH = 7.4)
-0.40770674
Log P
-0.40770674
Molar Refractivity
71.1485
Polarizability
29.728989
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
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Molecule Details
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References
Bioactivity
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