Molecule
ID:102123
General Information
Molecular Formula
C₅H₁₂O₅
Molecular Mass
152.14578
Exact Mass
152.06847348
Charge
0
InChI
InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2
InChIKey
HEBKCHPVOIAQTA-UHFFFAOYSA-N
Canonic Smiles
OCC(C(C(CO)O)O)O
Isomeric Smiles
OCC(O)C(O)C(O)CO
Calculated Properties
JChem
Acid pKa
12.760078
H Acceptors
5
H Donor
5
LogD (pH = 5.5)
-3.099684
LogD (pH = 7.4)
-3.099686
Log P
-3.099684
Molar Refractivity
32.4411
Polarizability
13.261178
Polar Surface Area
101.15
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...