Molecule

ID:102409

General Information
Structure
Molecular Formula
C₈H₁₄O₆
Molecular Mass
206.19316
Exact Mass
206.07903817
Charge
0
InChI
InChI=1S/C8H14O6/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5-6,9-10H,3-4H2,1-2H3
InChIKey
YSAVZVORKRDODB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(C(=O)OCC)O)O
Isomeric Smiles
CCOC(=O)C(O)C(O)C(=O)OCC
Calculated Properties
JChem
Acid pKa
11.187077
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.82339674
LogD (pH = 7.4)
-0.8234667
Log P
-0.82339585
Molar Refractivity
45.2488
Polarizability
18.454937
Polar Surface Area
93.06
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation