Molecule

ID:103359

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂O₆
Molecular Mass
262.29948
Exact Mass
262.14163842
Charge
0
InChI
InChI=1S/C12H22O6/c1-11(2)15-5-7(17-11)9(13)10(14)8-6-16-12(3,4)18-8/h7-10,13-14H,5-6H2,1-4H3
InChIKey
ODYBCPSCYHAGHA-UHFFFAOYSA-N
Canonic Smiles
OC(C(C1COC(O1)(C)C)O)C1COC(O1)(C)C
Isomeric Smiles
CC1(C)OCC(O1)C(O)C(O)C1COC(C)(C)O1
Calculated Properties
JChem
Acid pKa
12.760178
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-0.32516965
LogD (pH = 7.4)
-0.3251715
Log P
-0.32516962
Molar Refractivity
62.8176
Polarizability
25.514626
Polar Surface Area
77.38
Rotatable Bonds
3
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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