Molecule

ID:135188

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O₆
Molecular Mass
186.11180903
Exact Mass
186.08351713
Charge
0
InChI
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1/i1+1,2+1,3+1,4+1,5+1,6+1
InChIKey
WQZGKKKJIJFFOK-APHFOIPNSA-N
Canonic Smiles
O[13CH2][13C@H]1O[13CH](O)[13C@H]([13C@H]([13C@@H]1O)O)O
Isomeric Smiles
[13CH2]([13C@@H]1[13C@H]([13C@@H]([13C@@H]([13CH](O1)O)O)O)O)O
Calculated Properties
JChem
Acid pKa
11.298101
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
-2.93254
LogD (pH = 7.4)
-2.932594
Log P
-2.9325392
Molar Refractivity
35.9234
Polarizability
15.155883
Polar Surface Area
110.38
Rotatable Bonds
1
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