Molecule

ID:109145

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃NO₆
Molecular Mass
195.17052
Exact Mass
195.07428714
Charge
0
InChI
InChI=1S/C6H13NO6/c7-6(13)5(12)4(11)3(10)2(9)1-8/h2-5,8-12H,1H2,(H2,7,13)
InChIKey
JCZPMGDSEAFWDY-UHFFFAOYSA-N
Canonic Smiles
OCC(C(C(C(C(=O)N)O)O)O)O
Isomeric Smiles
NC(=O)C(O)C(O)C(O)C(O)CO
Calculated Properties
JChem
Acid pKa
12.008659
H Acceptors
6
H Donor
6
LogD (pH = 5.5)
-4.216687
LogD (pH = 7.4)
-4.2166977
Log P
-4.2166867
Molar Refractivity
40.0932
Polarizability
16.42629
Polar Surface Area
144.24
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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