Molecule

ID:129588

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄O₆
Molecular Mass
182.17176
Exact Mass
182.07903817
Charge
0
InChI
InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4?,5+,6+/m1/s1
InChIKey
FBPFZTCFMRRESA-NQAPHZHOSA-N
Canonic Smiles
OCC([C@@H]([C@H]([C@@H](CO)O)O)O)O
Isomeric Smiles
OC([C@H](O)[C@@H](O)[C@H](O)CO)CO
Calculated Properties
JChem
Acid pKa
12.585201
H Acceptors
6
H Donor
6
LogD (pH = 5.5)
-3.7300189
LogD (pH = 7.4)
-3.7300217
Log P
-3.7300189
Molar Refractivity
38.4036
Polarizability
15.776147
Polar Surface Area
121.38
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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