Molecule

ID:108707

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂O₁₃
Molecular Mass
398.31668
Exact Mass
398.10604076
Charge
0
InChI
InChI=1S/C14H22O13/c1-23-7-3(15)6(18)14(27-9(7)11(19)20)25-8-4(16)5(17)13(24-2)26-10(8)12(21)22/h3-10,13-18H,1-2H3,(H,19,20)(H,21,22)
InChIKey
GKFPPCXIBHQRQT-UHFFFAOYSA-N
Canonic Smiles
COC1OC(C(=O)O)C(C(C1O)O)OC1OC(C(=O)O)C(C(C1O)O)OC
Isomeric Smiles
COC1OC(C(OC2OC(C(OC)C(O)C2O)C(=O)O)C(O)C1O)C(=O)O
Calculated Properties
JChem
Acid pKa
2.8421483
H Acceptors
13
H Donor
6
LogD (pH = 5.5)
-7.380254
LogD (pH = 7.4)
-9.668734
Log P
-2.7765727
Molar Refractivity
77.5739
Polarizability
32.76367
Polar Surface Area
201.67
Rotatable Bonds
6
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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