Molecule

ID:70268

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₅
Molecular Mass
162.1406
Exact Mass
162.05282342
Charge
0
InChI
InChI=1S/C6H10O5/c1-10-5(8)3-4(7)6(9)11-2/h4,7H,3H2,1-2H3/t4-/m0/s1
InChIKey
YSEKNCXYRGKTBJ-BYPYZUCNSA-N
Canonic Smiles
COC(=O)C[C@@H](C(=O)OC)O
Isomeric Smiles
C(=O)([C@H](CC(=O)OC)O)OC
Calculated Properties
JChem
Acid pKa
12.443835
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.82185334
LogD (pH = 7.4)
-0.8218572
Log P
-0.82185334
Molar Refractivity
34.4134
Polarizability
14.136947
Polar Surface Area
72.83
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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