Molecule

ID:131920

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀O₆
Molecular Mass
260.2836
Exact Mass
260.12598836
Charge
0
InChI
InChI=1S/C12H20O6/c1-11(2)14-5-6(16-11)7-8-9(10(13)15-7)18-12(3,4)17-8/h6-10,13H,5H2,1-4H3/t6?,7-,8+,9?,10?/m1/s1
InChIKey
JWWCLCNPTZHVLF-RGJLLFKYSA-N
Canonic Smiles
OC1O[C@@H]([C@H]2C1OC(O2)(C)C)C1COC(O1)(C)C
Isomeric Smiles
CC1(OCC(O1)[C@@H]1[C@H]2C(C(O1)O)OC(O2)(C)C)C
Calculated Properties
JChem
Acid pKa
11.336936
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
0.47230938
LogD (pH = 7.4)
0.47225985
Log P
0.47231
Molar Refractivity
60.3374
Polarizability
24.877773
Polar Surface Area
66.38
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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