Molecule

ID:104674

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀O₁₀
Molecular Mass
348.3026
Exact Mass
348.10564684
Charge
0
InChI
InChI=1S/C14H20O10/c1-6(16)20-11-10(5-15)24-14(23-9(4)19)13(22-8(3)18)12(11)21-7(2)17/h10-15H,5H2,1-4H3/t10-,11-,12+,13-,14-/m1/s1
InChIKey
FEQXFAYSNRWXDW-RKQHYHRCSA-N
Canonic Smiles
OC[C@H]1O[C@@H](OC(=O)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
Isomeric Smiles
O=C(O[C@@H]1O[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C)CO)C
Calculated Properties
JChem
Acid pKa
14.58155
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-1.1680375
LogD (pH = 7.4)
-1.1680377
Log P
-1.1680375
Molar Refractivity
72.5294
Polarizability
30.56413
Polar Surface Area
134.66
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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