Molecule

ID:102396

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O₅
Molecular Mass
164.15648
Exact Mass
164.06847348
Charge
0
InChI
InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3-,4+,5+,6-/m1/s1
InChIKey
PNNNRSAQSRJVSB-DPYQTVNSSA-N
Canonic Smiles
O=C[C@@H]([C@H]([C@H]([C@H](O)C)O)O)O
Isomeric Smiles
O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C
Calculated Properties
JChem
LogD (pH = 7.4)
-2.52
LogD (pH = 5.5)
-2.52
Log P
-2.52
Rotatable Bonds
4
H Donor
4
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
12.31
Polar Surface Area
97.99
Polarizability
15.29
Molar Refractivity
35.80
LOG S
0.58
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