Molecule

ID:78522

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂O₈
Molecular Mass
318.31968
Exact Mass
318.13146766
Charge
0
InChI
InChI=1S/C14H22O8/c1-5-21-13(17)10(14(18)22-6-2)7-9(12(16)20-4)8-11(15)19-3/h9-10H,5-8H2,1-4H3
InChIKey
PDGWFPBGXKTEDS-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(=O)OCC)CC(C(=O)OC)CC(=O)OC
Isomeric Smiles
O(C(=O)CC(C(=O)OC)CC(C(=O)OCC)C(=O)OCC)C
Calculated Properties
JChem
Acid pKa
7.604692
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.7418977
LogD (pH = 7.4)
0.53678846
Log P
0.7452699
Molar Refractivity
73.8442
Polarizability
29.793436
Polar Surface Area
105.2
Rotatable Bonds
13
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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