Molecule

ID:53046

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄NO₆P
Molecular Mass
239.162921
Exact Mass
239.0558738
Charge
0
InChI
InChI=1S/C7H14NO6P/c1-5(9)8-6(7(10)12-2)15(11,13-3)14-4/h6H,1-4H3,(H,8,9)
InChIKey
MXNIODZSMNMILW-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(P(=O)(OC)OC)NC(=O)C
Isomeric Smiles
P(=O)(C(C(=O)OC)NC(=O)C)(OC)OC
Calculated Properties
JChem
Acid pKa
11.420555
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.95825666
LogD (pH = 7.4)
-0.95829403
Log P
-0.9582562
Molar Refractivity
49.6674
Polarizability
20.578146
Polar Surface Area
90.93
Rotatable Bonds
6
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
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References
Bioactivity
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