Molecule

ID:134257

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₂O₁₁
Molecular Mass
472.48288
Exact Mass
472.19446184
Charge
0
InChI
InChI=1S/C22H32O11/c1-22(2)32-18-13(9-24)30-21(16(27)19(18)33-22)31-17-12(8-23)29-20(15(26)14(17)25)28-10-11-6-4-3-5-7-11/h3-7,12-21,23-27H,8-10H2,1-2H3
InChIKey
HTGUDZYKBHFIRM-UHFFFAOYSA-N
Canonic Smiles
OCC1OC(OCc2ccccc2)C(C(C1OC1OC(CO)C2C(C1O)OC(O2)(C)C)O)O
Isomeric Smiles
CC1(OC2C(OC(C(C2O1)O)OC1C(OC(C(C1O)O)OCc1ccccc1)CO)CO)C
Calculated Properties
JChem
Acid pKa
12.010878
H Acceptors
11
H Donor
5
LogD (pH = 5.5)
-0.6333508
LogD (pH = 7.4)
-0.6333613
Log P
-0.6333506
Molar Refractivity
109.9075
Polarizability
45.104164
Polar Surface Area
156.53
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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