Molecule

ID:107423

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀O₇
Molecular Mass
240.2509
Exact Mass
240.12090298
Charge
0
InChI
InChI=1S/C9H20O7/c10-2-1-3-16-5-7(13)9(15)8(14)6(12)4-11/h6-15H,1-5H2
InChIKey
RZTHEFNJGBQOFO-UHFFFAOYSA-N
Canonic Smiles
OCCCOCC(C(C(C(CO)O)O)O)O
Isomeric Smiles
OCCCOCC(O)C(O)C(O)C(O)CO
Calculated Properties
JChem
Acid pKa
12.587348
H Acceptors
7
H Donor
6
LogD (pH = 5.5)
-3.7170346
LogD (pH = 7.4)
-3.7170374
Log P
-3.7170346
Molar Refractivity
54.3125
Polarizability
21.961374
Polar Surface Area
130.61
Rotatable Bonds
9
Lipinski's Rule of Five
false
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