Molecule

ID:463

General Information
Structure
Loading...
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/t4-,5-,6+,7+,8-,9-,10+,11+,12-/m1/s1
InChIKey
JCQLYHFGKNRPGE-FCVZTGTOSA-N
Canonic Smiles
OC[C@H]1O[C@]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)O)(O)CO
Isomeric Smiles
O([C@H]1[C@H](O)[C@@](O[C@@H]1CO)(O)CO)[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)CO
Calculated Properties
JChem
LogD (pH = 7.4)
-4.53
LogD (pH = 5.5)
-4.53
Log P
-4.53
Rotatable Bonds
5
H Donor
8
H Acceptors
11
Lipinski's Rule of Five
false
Acid pKa
10.28
Polar Surface Area
189.53
Polarizability
30.96
Molar Refractivity
68.77
LOG S
0.54
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...