Molecule

ID:136521

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O₆
Molecular Mass
180.15588
Exact Mass
180.0633881
Charge
0
InChI
InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6?/m1/s1
InChIKey
LKDRXBCSQODPBY-VRPWFDPXSA-N
Canonic Smiles
OCC1(O)OC[C@H]([C@H]([C@@H]1O)O)O
Isomeric Smiles
[C@H]1([C@@H](COC([C@H]1O)(CO)O)O)O
Calculated Properties
JChem
Acid pKa
10.291031
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
-2.7580063
LogD (pH = 7.4)
-2.7585566
Log P
-2.7579994
Molar Refractivity
36.3608
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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