Molecule

ID:3013

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(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1
InChIKey
GUBGYTABKSRVRQ-QUYVBRFLSA-N
Canonic Smiles
OC[C@H]1O[C@@H](O)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O
Isomeric Smiles
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O)O)CO)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
31.04
Molar Refractivity
68.34
LOG S
0.31
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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