Molecule

ID:135722

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O₆
Molecular Mass
182.14118968
Exact Mass
182.07009778
Charge
0
InChI
InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1/i1+1,3+1
InChIKey
GZCGUPFRVQAUEE-SZEFTZBMSA-N
Canonic Smiles
OC[C@H]([C@H]([C@@H]([13C@H]([13CH]=O)O)O)O)O
Isomeric Smiles
C([C@H]([C@H]([C@@H]([13C@H]([13CH]=O)O)O)O)O)O
Calculated Properties
JChem
Acid pKa
11.800943
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
-3.5683608
LogD (pH = 7.4)
-3.5683777
Log P
-3.5683606
Molar Refractivity
37.3456
Polarizability
15.251392
Polar Surface Area
118.22
Rotatable Bonds
5
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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