Molecule

ID:129691

General Information
Structure
MolImage
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/h1,3-6,8-12H,2H2/t3-,4-,5-,6+/m1/s1
InChIKey
GZCGUPFRVQAUEE-KAZBKCHUSA-N
Canonic Smiles
OC[C@H]([C@@H]([C@@H]([C@@H](C=O)O)O)O)O
Isomeric Smiles
O=C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO
Calculated Properties
JChem
LogD (pH = 7.4)
-3.57
LogD (pH = 5.5)
-3.57
Log P
-3.57
Rotatable Bonds
5
H Donor
5
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
12.26
Polar Surface Area
118.22
Polarizability
16.16
Molar Refractivity
37.35
LOG S
0.98
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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