Molecule

ID:3738

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(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m0/s1
InChIKey
DLRVVLDZNNYCBX-CAPXFGMSSA-N
Canonic Smiles
OC[C@@H]1O[C@H](OC[C@@H]2O[C@H](O)[C@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O
Isomeric Smiles
OC[C@@H]1O[C@H](OC[C@@H]2O[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Calculated Properties
JChem
Acid pKa
11.2481985
H Acceptors
11
H Donor
8
LogD (pH = 5.5)
-4.703376
LogD (pH = 7.4)
-4.7034364
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
ALOGPS 2.1
Log P
-3.0
LOG S
0.17
Solubility (Water)
5.11e+02 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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