Molecule

ID:127919

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O₆
Molecular Mass
180.15588
Exact Mass
180.0633881
Charge
0
InChI
InChI=1S/C6H12O6/c7-2-4(9)1-6(12,3-8)5(10)11/h4,7-9,12H,1-3H2,(H,10,11)/t4-,6-/m0/s1
InChIKey
SGOVJIDEXZEOTB-NJGYIYPDSA-N
Canonic Smiles
OC[C@H](C[C@@](C(=O)O)(CO)O)O
Isomeric Smiles
OC[C@@H](O)C[C@@](CO)(O)C(=O)O
Calculated Properties
JChem
Acid pKa
3.4879959
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
-4.7064714
LogD (pH = 7.4)
-6.0821958
Log P
-2.7032588
Molar Refractivity
37.4684
Polarizability
15.092376
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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