Molecule

ID:127983

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂O₁₁
Molecular Mass
342.29648
Exact Mass
342.11621152
Charge
0
InChI
InChI=1S/C12H22O11/c13-1-4(16)7(17)8(18)5(2-14)22-12-11(21)10(20)9(19)6(3-15)23-12/h2,4-13,15-21H,1,3H2/t4-,5+,6-,7-,8-,9-,10+,11-,12+/m1/s1
InChIKey
PZDOWFGHCNHPQD-OQPGPFOOSA-N
Canonic Smiles
O=C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Isomeric Smiles
O=C[C@H](O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)[C@@H](O)[C@H](O)[C@H](O)CO
Calculated Properties
JChem
LogD (pH = 7.4)
-5.34
LogD (pH = 5.5)
-5.34
Log P
-5.34
Rotatable Bonds
8
H Donor
8
H Acceptors
11
Lipinski's Rule of Five
false
Acid pKa
12.07
Polar Surface Area
197.37
Polarizability
31.31
Molar Refractivity
69.76
LOG S
0.94
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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