Molecule

ID:4044

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-QKKXKWKRSA-N
Canonic Smiles
OC[C@H]1OC(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
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@H]1O)O[C@@H]1[C@@H](CO)OC(O)[C@H](O)[C@H]1O
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
31.24
Molar Refractivity
68.34
LOG S
0.31
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