Molecule

ID:101688

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄O₄
Molecular Mass
162.18366
Exact Mass
162.08920893
Charge
0
InChI
InChI=1S/C7H14O4/c1-7(2)10-3-5(8)6(9)4-11-7/h5-6,8-9H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKey
ZCYLFZNEKLJZFK-PHDIDXHHSA-N
Canonic Smiles
O[C@@H]1COC(OC[C@H]1O)(C)C
Isomeric Smiles
C1(OC[C@H]([C@@H](CO1)O)O)(C)C
Calculated Properties
JChem
Acid pKa
13.052865
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.7669244
LogD (pH = 7.4)
-0.76692533
Log P
-0.7669243
Molar Refractivity
38.6856
Polarizability
15.614053
Polar Surface Area
58.92
Rotatable Bonds
0
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
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Molecule Details
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References
Bioactivity
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