Molecule

ID:129584

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂O₁₁
Molecular Mass
342.29648
Exact Mass
342.11621152
Charge
0
InChI
InChI=1S/C12H22O11/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11+,12+/m1/s1
InChIKey
HIWPGCMGAMJNRG-NCFXGAEVSA-N
Canonic Smiles
OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Isomeric Smiles
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O
Calculated Properties
JChem
Acid pKa
11.267477
H Acceptors
11
H Donor
8
LogD (pH = 5.5)
-4.703376
LogD (pH = 7.4)
-4.7034335
Log P
-4.703375
Molar Refractivity
68.3367
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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