Molecule

ID:127829

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀O₅
Molecular Mass
268.3056
Exact Mass
268.13107374
Charge
0
InChI
InChI=1S/C14H20O5/c1-2-3-4-5-6-7-8-9(14(17)18-7)11(16)13-12(19-13)10(8)15/h7,10-13,15-16H,2-6H2,1H3/t7-,10-,11-,12+,13-/m1/s1
InChIKey
OHAVJEXAZZCXML-KDRYVUTISA-N
Canonic Smiles
CCCCCC[C@H]1OC(=O)C2=C1[C@@H](O)[C@@H]1O[C@@H]1[C@@H]2O
Isomeric Smiles
O=C1O[C@H](CCCCCC)C2=C1[C@@H](O)[C@@H]1[C@@H](O1)[C@@H]2O
Calculated Properties
JChem
Acid pKa
12.944585
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.1804
LogD (pH = 7.4)
1.1803988
Log P
1.1804
Molar Refractivity
66.569
Polarizability
26.856579
Polar Surface Area
79.29
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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