Molecule

ID:102674

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂O₁₁
Molecular Mass
342.29648
Exact Mass
342.11621152
Charge
0
InChI
InChI=1S/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h5-14,16-21H,1-3H2/t5-,6-,7-,8-,9-,10+,11-,12+/m1/s1
InChIKey
RJPPRBMGVWEZRR-WTZPKTTFSA-N
Canonic Smiles
OCC(=O)[C@H]([C@@H]([C@@H](CO[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O)O
Isomeric Smiles
O=C(CO)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO
Calculated Properties
JChem
Acid pKa
11.884811
H Acceptors
11
H Donor
8
LogD (pH = 5.5)
-5.0378675
LogD (pH = 7.4)
-5.037882
Log P
-5.0378675
Molar Refractivity
69.9751
Polarizability
29.065626
Polar Surface Area
197.37
Rotatable Bonds
8
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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