Molecule

ID:2138

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-FSIIMWSLSA-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
Acid pKa
12.695254
H Acceptors
5
H Donor
5
LogD (pH = 5.5)
-2.6831088
LogD (pH = 7.4)
-2.6831112
Log P
-2.6831088
Molar Refractivity
36.8599
Polarizability
15.063471
Polar Surface Area
101.15
Rotatable Bonds
4
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-2.25
LOG S
0.46
Solubility (Water)
4.76e+02 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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