Molecule

ID:4132

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₆
Molecular Mass
178.14
Exact Mass
178.04773804
Charge
0
InChI
InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1
InChIKey
PHOQVHQSTUBQQK-SQOUGZDYSA-N
Canonic Smiles
OC[C@H]1OC(=O)[C@@H]([C@H]([C@@H]1O)O)O
Isomeric Smiles
OC[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@H]1O
Calculated Properties
JChem
LogD (pH = 7.4)
-2.75
LogD (pH = 5.5)
-2.75
Log P
-2.75
Rotatable Bonds
1
H Donor
4
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
11.62
Polar Surface Area
107.22
Polarizability
15.43
Molar Refractivity
34.78
LOG S
0.11
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation