Molecule

ID:4050

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O₅
Molecular Mass
164.15648
Exact Mass
164.06847348
Charge
0
InChI
InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1
InChIKey
SHZGCJCMOBCMKK-SXUWKVJYSA-N
Canonic Smiles
O[C@@H]1[C@H](C)O[C@H]([C@H]([C@@H]1O)O)O
Isomeric Smiles
C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O
Calculated Properties
JChem
LogD (pH = 7.4)
-1.89
LogD (pH = 5.5)
-1.89
Log P
-1.89
Rotatable Bonds
0
H Donor
4
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
11.30
Polar Surface Area
90.15
Polarizability
15.21
Molar Refractivity
34.38
LOG S
-0.04
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
Molecule Details
References
Bioactivity
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