Molecule

ID:89287

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O₅
Molecular Mass
164.15648
Exact Mass
164.06847348
Charge
0
InChI
InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4-,5-,6-/m1/s1
InChIKey
MPCAJMNYNOGXPB-KVTDHHQDSA-N
Canonic Smiles
OC[C@H]1OC[C@H]([C@H]([C@@H]1O)O)O
Isomeric Smiles
O[C@H]1[C@H]([C@@H]([C@H](OC1)CO)O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-2.57
LogD (pH = 5.5)
-2.57
Log P
-2.57
Rotatable Bonds
1
H Donor
4
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
12.66
Polar Surface Area
90.15
Polarizability
15.46
Molar Refractivity
34.89
LOG S
0.41
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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