Molecule

ID:89632

General Information
Structure
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)8-7(13)9-10(15-8)18-12(3,4)17-9/h6-10,13H,5H2,1-4H3/t6-,7-,8-,9-,10+/m0/s1
InChIKey
KEJGAYKWRDILTF-BQHMLIOBSA-N
Canonic Smiles
O[C@H]1[C@@H](O[C@H]2[C@H]1OC(O2)(C)C)[C@@H]1COC(O1)(C)C
Isomeric Smiles
O[C@@H]1[C@H]2[C@H](O[C@H]1[C@@H]1COC(O1)(C)C)OC(O2)(C)C
Calculated Properties
JChem
Acid pKa
12.956559
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
0.47231
LogD (pH = 7.4)
0.4723088
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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