Molecule

ID:89378

General Information
Structure
Molecular Formula
C₆H₁₂O₅
Molecular Mass
164.15648
Exact Mass
164.06847348
Charge
0
InChI
InChI=1S/C6H12O5/c7-1-3-5(9)6(10)4(2-8)11-3/h3-10H,1-2H2/t3-,4-,5-,6+/m1/s1
InChIKey
MCHWWJLLPNDHGL-KAZBKCHUSA-N
Canonic Smiles
OC[C@H]1O[C@@H]([C@H]([C@H]1O)O)CO
Isomeric Smiles
O[C@@H]1[C@@H]([C@H](O[C@@H]1CO)CO)O
Calculated Properties
JChem
Acid pKa
12.753447
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-2.5683153
LogD (pH = 7.4)
-2.5683172
Log P
-2.5683153
Molar Refractivity
34.8935
Polarizability
14.43744
Polar Surface Area
90.15
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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