Molecule

ID:134143

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₄O₁₁
Molecular Mass
356.32306
Exact Mass
356.13186159
Charge
0
InChI
InChI=1S/C13H24O11/c1-21-13-11(9(19)7(17)5(3-15)23-13)24-12-10(20)8(18)6(16)4(2-14)22-12/h4-20H,2-3H2,1H3
InChIKey
YUAFWDJFJCEDHL-UHFFFAOYSA-N
Canonic Smiles
COC1OC(CO)C(C(C1OC1OC(CO)C(C(C1O)O)O)O)O
Isomeric Smiles
COC1C(C(C(C(O1)CO)O)O)OC1C(C(C(C(O1)CO)O)O)O
Calculated Properties
JChem
Acid pKa
12.089856
H Acceptors
11
H Donor
7
LogD (pH = 5.5)
-4.0602484
LogD (pH = 7.4)
-4.0602574
Log P
-4.0602484
Molar Refractivity
73.0879
Polarizability
30.830313
Polar Surface Area
178.53
Rotatable Bonds
5
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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