Molecule

ID:125480

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O₅
Molecular Mass
164.15648
Exact Mass
164.06847348
Charge
0
InChI
InChI=1S/C6H12O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2-11H,1H2/t2-,3-,4+,5+/m1/s1
InChIKey
IMPKVMRTXBRHRB-MBMOQRBOSA-N
Canonic Smiles
O[C@@H]1C[C@@H](O)[C@@H](C([C@H]1O)O)O
Isomeric Smiles
O[C@@H]1C[C@@H](O)[C@H](O)C(O)[C@H]1O
Calculated Properties
JChem
Acid pKa
12.609916
H Acceptors
5
H Donor
5
LogD (pH = 5.5)
-3.091715
LogD (pH = 7.4)
-3.0917177
Log P
-3.0917149
Molar Refractivity
34.6779
Polarizability
14.372705
Polar Surface Area
101.15
Rotatable Bonds
0
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