Molecule

ID:132788

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄O₁₁
Molecular Mass
344.31236
Exact Mass
344.13186159
Charge
0
InChI
InChI=1S/C12H24O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h4-21H,1-3H2
InChIKey
SERLAGPUMNYUCK-UHFFFAOYSA-N
Canonic Smiles
OCC(C(C(C(COC1OC(CO)C(C(C1O)O)O)O)O)O)O
Isomeric Smiles
C(C1C(C(C(C(O1)OCC(C(C(C(CO)O)O)O)O)O)O)O)O
Calculated Properties
JChem
Acid pKa
12.059471
H Acceptors
11
H Donor
9
LogD (pH = 5.5)
-5.5008545
LogD (pH = 7.4)
-5.500864
Log P
-5.5008545
Molar Refractivity
70.8169
Polarizability
29.590591
Polar Surface Area
200.53
Rotatable Bonds
8
Lipinski's Rule of Five
false
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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