Molecule

ID:102821

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂O₁₁
Molecular Mass
342.29648
Exact Mass
342.11621152
Charge
0
InChI
InChI=1S/C12H22O11/c13-1-5-7(17)8(18)9(19)11(22-5)23-10-6(16)4(15)2-21-12(10,20)3-14/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
InChIKey
SEWFWJUQVJHATO-UGDNZRGBSA-N
Canonic Smiles
OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@H](O)CO[C@@]2(O)CO)[C@@H]([C@H]([C@@H]1O)O)O
Isomeric Smiles
O([C@@H]1[C@@](O)(OC[C@@H](O)[C@H]1O)CO)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Calculated Properties
JChem
Acid pKa
10.275808
H Acceptors
11
H Donor
8
LogD (pH = 5.5)
-4.5288424
LogD (pH = 7.4)
-4.5294123
Log P
-4.528835
Molar Refractivity
68.7741
Polarizability
28.969793
Polar Surface Area
189.53
Rotatable Bonds
4
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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