Molecule

ID:2809

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O₆
Molecular Mass
180.15588
Exact Mass
180.0633881
Charge
0
InChI
InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3+,4+,5-,6-
InChIKey
CDAISMWEOUEBRE-CDRYSYESSA-N
Canonic Smiles
O[C@@H]1[C@@H](O)[C@H](O)[C@H]([C@@H]([C@H]1O)O)O
Isomeric Smiles
O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
Calculated Properties
JChem
Acid pKa
12.285498
H Acceptors
6
H Donor
6
LogD (pH = 5.5)
-3.7820098
LogD (pH = 7.4)
-3.7820153
Log P
-3.7820096
Molar Refractivity
35.775
Polarizability
15.092376
Polar Surface Area
121.38
Rotatable Bonds
0
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
-2.59
LOG S
0.43
Solubility (Water)
4.85e+02 g/l
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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