Molecule

ID:2411

General Information
Structure
MolImage
Molecular Formula
C₂₃H₄₄O₁₁
Molecular Mass
496.58886
Exact Mass
496.28836223
Charge
0
InChI
InChI=1S/C23H44O11/c1-2-3-4-5-6-7-8-9-10-11-31-22-20(30)18(28)21(15(13-25)33-22)34-23-19(29)17(27)16(26)14(12-24)32-23/h14-30H,2-13H2,1H3/t14-,15-,16-,17+,18-,19-,20-,21+,22-,23+/m0/s1
InChIKey
UYEMNFYVTFDKRG-LGCFCJMNSA-N
Canonic Smiles
CCCCCCCCCCCO[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
CCCCCCCCCCCO[C@H]1O[C@@H](CO)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O
Calculated Properties
JChem
Acid pKa
11.939976
H Acceptors
11
H Donor
7
LogD (pH = 5.5)
0.37563115
LogD (pH = 7.4)
0.3756188
Log P
0.3756313
Molar Refractivity
119.1685
Polarizability
48.96104
Polar Surface Area
178.53
Rotatable Bonds
15
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
1.02
LOG S
-2.11
Solubility (Water)
3.84e+00 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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