Molecule

ID:136972

General Information
Structure
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Molecular Formula
C₆H₁₂O₆
Molecular Mass
180.15588
Exact Mass
180.0633881
Charge
0
InChI
InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6-/m1/s1
InChIKey
BJHIKXHVCXFQLS-UYFOZJQFSA-N
Canonic Smiles
OC[C@H]([C@H]([C@@H](C(=O)CO)O)O)O
Isomeric Smiles
C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-3.27
LogD (pH = 5.5)
-3.27
Log P
-3.27
Rotatable Bonds
5
H Donor
5
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
12.16
Polar Surface Area
118.22
Polarizability
16.22
Molar Refractivity
37.56
LOG S
0.67
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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