Molecule

ID:132021

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂KO₁₂
Molecular Mass
397.39418
Exact Mass
397.07483282
Charge
0
InChI
InChI=1S/C12H22O12.K/c13-1-4-6(16)8(18)10(20)12(24-4)23-2-3(14)5(15)7(17)9(19)11(21)22;/h3-10,12-20H,1-2H2,(H,21,22);
InChIKey
AEMRMMUJIAQDFT-UHFFFAOYSA-N
Canonic Smiles
OCC1OC(OCC(C(C(C(C(=O)O)O)O)O)O)C(C(C1O)O)O.[K]
Isomeric Smiles
C(C1C(C(C(C(O1)OCC(C(C(C(C(=O)O)O)O)O)O)O)O)O)O.[K]
Calculated Properties
JChem
Acid pKa
3.1443086
H Acceptors
12
H Donor
9
LogD (pH = 5.5)
-7.5100083
LogD (pH = 7.4)
-8.6353245
Log P
-5.18058
Molar Refractivity
70.6843
Polarizability
29.630531
Polar Surface Area
217.6
Rotatable Bonds
8
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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