Molecule

ID:1682

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-/m0/s1
InChIKey
GZCGUPFRVQAUEE-FSIIMWSLSA-N
Canonic Smiles
OC[C@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O
Isomeric Smiles
OC[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C=O
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
16.25
Molar Refractivity
37.35
LOG S
0.98
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation