Molecule

ID:128247

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(15)8(17)9(18)11(22-4)21-2-5-7(16)10(19)12(20,3-14)23-5/h4-11,13-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11+,12?/m1/s1
InChIKey
PVXPPJIGRGXGCY-XIOYNQKVSA-N
Canonic Smiles
OC[C@H]1O[C@H](OC[C@H]2OC([C@H]([C@@H]2O)O)(O)CO)[C@@H]([C@H]([C@H]1O)O)O
Isomeric Smiles
O[C@H]1[C@H](O)[C@H](OC1(O)CO)CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Calculated Properties
JChem
Acid pKa
10.279238
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
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation