Molecule

ID:106842

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀O₆
Molecular Mass
166.1293
Exact Mass
166.04773804
Charge
0
InChI
InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3-,4+/m1/s1
InChIKey
QXKAIJAYHKCRRA-JJYYJPOSSA-N
Canonic Smiles
OC[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(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-6.18
LogD (pH = 5.5)
-4.87
Log P
-2.78
Rotatable Bonds
4
H Donor
5
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
3.39
Polar Surface Area
118.22
Polarizability
14.38
Molar Refractivity
32.31
LOG S
0.77
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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