Molecule

ID:128246

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂O₁₁
Molecular Mass
342.29648
Exact Mass
342.11621152
Charge
0
InChI
InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11-,12+/m1/s1
InChIKey
DLRVVLDZNNYCBX-ZZFZYMBESA-N
Canonic Smiles
OC[C@H]1O[C@H](OC[C@H]2O[C@@H](O)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@H]1O)O)O
Isomeric Smiles
C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O)O)O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-4.70
LogD (pH = 5.5)
-4.70
Log P
-4.70
Rotatable Bonds
4
H Donor
8
H Acceptors
11
Lipinski's Rule of Five
false
Acid pKa
11.25
Polar Surface Area
189.53
Polarizability
31.70
Molar Refractivity
68.34
LOG S
0.23
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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