Molecule

ID:2120

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O₆
Molecular Mass
180.15588
Exact Mass
180.0633881
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-/m0/s1
InChIKey
WQZGKKKJIJFFOK-QYESYBIKSA-N
Canonic Smiles
OC[C@@H]1O[C@H](O)[C@H]([C@@H]([C@H]1O)O)O
Isomeric Smiles
OC[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
Calculated Properties
JChem
LogD (pH = 7.4)
-2.93
LogD (pH = 5.5)
-2.93
Log P
-2.93
Rotatable Bonds
1
H Donor
5
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
11.30
Polar Surface Area
110.38
Polarizability
16.37
Molar Refractivity
35.92
LOG S
0.35
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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