Molecule

ID:110982

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀O₈
Molecular Mass
304.2931
Exact Mass
304.1158176
Charge
0
InChI
InChI=1S/C13H20O8/c1-18-9(14)5-13(6-10(15)19-2,7-11(16)20-3)8-12(17)21-4/h5-8H2,1-4H3
InChIKey
DFEUPNHLWHFZTI-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC(CC(=O)OC)(CC(=O)OC)CC(=O)OC
Isomeric Smiles
COC(=O)CC(CC(=O)OC)(CC(=O)OC)CC(=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.5346181
LogD (pH = 7.4)
-0.5346181
Log P
-0.5346181
Molar Refractivity
68.7709
Polarizability
27.978525
Polar Surface Area
105.2
Rotatable Bonds
12
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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