Molecule

ID:3790

General Information
Structure
Molecular Formula
C₆H₁₂O₆
Molecular Mass
180.15588
Exact Mass
180.0633881
Charge
0
InChI
InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m0/s1
InChIKey
RFSUNEUAIZKAJO-AZGQCCRYSA-N
Canonic Smiles
OC[C@@H]1O[C@@]([C@@H]([C@H]1O)O)(O)CO
Isomeric Smiles
OC[C@@H]1O[C@@](O)(CO)[C@H](O)[C@H]1O
Calculated Properties
JChem
LogD (pH = 7.4)
-2.76
LogD (pH = 5.5)
-2.76
Log P
-2.76
Rotatable Bonds
2
H Donor
5
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
10.28
Polar Surface Area
110.38
Polarizability
16.24
Molar Refractivity
36.36
LOG S
0.57
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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