Molecule

ID:135447

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O₆
Molecular Mass
181.14853484
Exact Mass
181.06674294
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?/m1/s1/i3+1
InChIKey
WQZGKKKJIJFFOK-CDAWROFUSA-N
Canonic Smiles
OC[C@H]1OC(O)[C@@H]([C@H]([13C@@H]1O)O)O
Isomeric Smiles
C([C@@H]1[13C@H]([C@@H]([C@H](C(O1)O)O)O)O)O
Calculated Properties
JChem
Acid pKa
11.298101
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
-2.93254
LogD (pH = 7.4)
-2.932594
Log P
-2.9325392
Molar Refractivity
35.9234
Polarizability
15.155883
Polar Surface Area
110.38
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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