Molecule

ID:88054

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₅
Molecular Mass
162.1406
Exact Mass
162.05282342
Charge
0
InChI
InChI=1S/C6H10O5/c7-2-4(9)1-5(10)6(11)3-8/h2,5-6,8,10-11H,1,3H2/t5-,6-/m0/s1
InChIKey
ZGCHLOWZNKRZSN-WDSKDSINSA-N
Canonic Smiles
O[C@H]([C@H](CO)O)CC(=O)C=O
Isomeric Smiles
O=CC(=O)C[C@@H]([C@H](CO)O)O
Calculated Properties
JChem
Acid pKa
10.464561
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-1.6449594
LogD (pH = 7.4)
-1.6453286
Log P
-1.6449547
Molar Refractivity
35.3777
Polarizability
14.0075035
Polar Surface Area
94.83
Rotatable Bonds
5
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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