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PHENYLPHOSPHORODIAMIDATE

CAS No.:
7450-69-3
Catalog Number:
AG003TPZ
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003TPZ
Chemical Name:
PHENYLPHOSPHORODIAMIDATE
CAS Number:
7450-69-3
MDL Number:
MFCD00014767
IUPAC Name:
diaminophosphoryloxybenzene
InChI:
InChI=1S/C6H9N2O2P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H4,7,8,9)
InChI Key:
AYRRNFHDJUXLEQ-UHFFFAOYSA-N
EC Number:
231-218-6
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.04g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
172.124g/mol
Monoisotopic Mass:
172.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Literature
Title Journal
Design, synthesis, and evaluation of novel organophosphorus inhibitors of bacterial ureases. Journal of medicinal chemistry 20080925
Catalyzed decomposition of urea. Molecular dynamics simulations of the binding of urea to urease. Biochemistry 20060411
Chemistry and mechanism of urease inhibition. Current medicinal chemistry 20020701
Structure-based computational study of the catalytic and inhibition mechanisms of urease. Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry 20010301
Properties