Molecule

ID:102770

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O₆
Molecular Mass
180.15588
Exact Mass
180.0633881
Charge
0
InChI
InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6-/m1/s1
InChIKey
BJHIKXHVCXFQLS-PQLUHFTBSA-N
Canonic Smiles
OC[C@H]([C@@H]([C@@H](C(=O)CO)O)O)O
Isomeric Smiles
O=C([C@@H](O)[C@@H](O)[C@H](O)CO)CO
Calculated Properties
JChem
LogD (pH = 7.4)
-3.27
LogD (pH = 5.5)
-3.27
Log P
-3.27
Rotatable Bonds
5
H Donor
5
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
12.16
Polar Surface Area
118.22
Polarizability
16.21
Molar Refractivity
37.56
LOG S
0.67
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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