Molecule

ID:104005

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂O₁₁
Molecular Mass
342.29648
Exact Mass
342.11621152
Charge
0
InChI
InChI=1S/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2
InChIKey
JCQLYHFGKNRPGE-UHFFFAOYSA-N
Canonic Smiles
OCC1OC(C(C1OC1OC(CO)C(C(C1O)O)O)O)(O)CO
Isomeric Smiles
OCC1OC(OC2C(CO)OC(O)(CO)C2O)C(O)C(O)C1O
Calculated Properties
JChem
Acid pKa
10.279233
H Acceptors
11
H Donor
8
LogD (pH = 5.5)
-4.528842
LogD (pH = 7.4)
-4.5294075
Log P
-4.528835
Molar Refractivity
68.7741
Polarizability
28.969793
Polar Surface Area
189.53
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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