Molecule

ID:129987

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀O₇
Molecular Mass
276.283
Exact Mass
276.12090298
Charge
0
InChI
InChI=1S/C12H20O7/c1-4-17-9(13)7-12(16,11(15)19-6-3)8-10(14)18-5-2/h16H,4-8H2,1-3H3
InChIKey
DOOTYTYQINUNNV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(CC(=O)OCC)(CC(=O)OCC)O
Isomeric Smiles
CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)O
Calculated Properties
JChem
Acid pKa
11.818971
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.41875172
LogD (pH = 7.4)
0.41873538
Log P
0.18541858
Molar Refractivity
64.177
Polarizability
25.936121
Polar Surface Area
99.13
Rotatable Bonds
11
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