Molecule

ID:132378

General Information
Structure
MolImage
Molecular Formula
C₂₂H₄₂O₁₁
Molecular Mass
482.56228
Exact Mass
482.27271216
Charge
0
InChI
InChI=1S/C22H42O11/c1-2-3-4-5-6-7-8-9-10-30-21-19(29)17(27)20(14(12-24)32-21)33-22-18(28)16(26)15(25)13(11-23)31-22/h13-29H,2-12H2,1H3/t13-,14-,15-,16+,17-,18-,19-,20-,21-,22-/m1/s1
InChIKey
WOQQAWHSKSSAGF-WXFJLFHKSA-N
Canonic Smiles
CCCCCCCCCCO[C@@H]1O[C@H](CO)[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
CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-0.07
LogD (pH = 5.5)
-0.07
Log P
-0.07
Rotatable Bonds
14
H Donor
7
H Acceptors
11
Lipinski's Rule of Five
false
Acid pKa
11.94
Polar Surface Area
178.53
Polarizability
52.05
Molar Refractivity
114.57
LOG S
-3.40
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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