Molecule

ID:127487

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄O₅
Molecular Mass
166.17236
Exact Mass
166.08412355
Charge
0
InChI
InChI=1S/C6H14O5/c1-3(8)5(10)6(11)4(9)2-7/h3-11H,2H2,1H3/t3-,4+,5+,6-/m0/s1
InChIKey
SKCKOFZKJLZSFA-KCDKBNATSA-N
Canonic Smiles
OC[C@H]([C@@H]([C@@H]([C@@H](O)C)O)O)O
Isomeric Smiles
C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO
Calculated Properties
JChem
LogD (pH = 7.4)
-2.68
LogD (pH = 5.5)
-2.68
Log P
-2.68
Rotatable Bonds
4
H Donor
5
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
12.70
Polar Surface Area
101.15
Polarizability
16.03
Molar Refractivity
36.86
LOG S
0.76
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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