Molecule

ID:128562

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-DCLYFUHFSA-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
LogD (pH = 7.4)
-3.78
LogD (pH = 5.5)
-3.78
Log P
-3.78
Rotatable Bonds
0
H Donor
6
H Acceptors
6
Lipinski's Rule of Five
false
Acid pKa
12.29
Polar Surface Area
121.38
Polarizability
16.06
Molar Refractivity
35.77
LOG S
0.47
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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