Molecule

ID:127264

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O₆
Molecular Mass
180.15588
Exact Mass
180.0633881
Charge
0
InChI
InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6+
InChIKey
CDAISMWEOUEBRE-NIPYSYMMSA-N
Canonic Smiles
O[C@@H]1[C@H](O)[C@H](O)[C@@H]([C@@H]([C@H]1O)O)O
Isomeric Smiles
O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O
Calculated Properties
JChem
Acid pKa
12.285498
H Acceptors
6
H Donor
6
LogD (pH = 5.5)
-3.7820098
LogD (pH = 7.4)
-3.7820153
Log P
-3.7820096
Molar Refractivity
35.775
Polarizability
15.092376
Polar Surface Area
121.38
Rotatable Bonds
0
Lipinski's Rule of Five
false
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