Molecule

ID:130218

General Information
Structure
MolImage
Molecular Formula
C₅H₈O₄
Molecular Mass
132.11462
Exact Mass
132.04225874
Charge
0
InChI
InChI=1S/C5H8O4/c6-3-2-1-8-5(9-2)4(3)7/h2-7H,1H2/t2-,3+,4-,5-/m1/s1
InChIKey
OYJJPEGOLXZHDM-KKQCNMDGSA-N
Canonic Smiles
O[C@H]1[C@@H]2OC[C@H]([C@@H]1O)O2
Isomeric Smiles
O[C@@H]1[C@@H](O)[C@H]2O[C@@H]1CO2
Calculated Properties
JChem
Acid pKa
12.27926
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.1405008
LogD (pH = 7.4)
-1.1405064
Log P
-1.1405007
Molar Refractivity
26.4508
Polarizability
11.299419
Polar Surface Area
58.92
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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