Molecule

ID:132308

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)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2H2
InChIKey
QIGJYVCQYDKYDW-UHFFFAOYSA-N
Canonic Smiles
OCC1OC(O)C(C(C1O)OC1OC(CO)C(C(C1O)O)O)O
Isomeric Smiles
C(C1C(C(C(C(O1)O)O)OC1C(C(C(C(O1)CO)O)O)O)O)O
Calculated Properties
JChem
Acid pKa
11.253927
H Acceptors
11
H Donor
8
LogD (pH = 5.5)
-4.703376
LogD (pH = 7.4)
-4.7034354
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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