Formula |
C20H19ClN5O5P |
IUPAC Name |
[4-[7-[2-(4-chlorophenoxy)ethyl]-2-(methylamino)-6-oxo-3h-purin-8-yl]phenyl]phosphonic acid |
Molecular Mass |
475.822 g·mol−1 |
Heat of Formation |
-734.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.80 ± 1.08 D |
Volume |
500.06 Å 3 |
Surface Area |
390.09 Å 2 |
HOMO Energy |
-8.94 ± 0.55 eV |
LUMO Energy |
-1.29 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
MCYZBWKMUOPJOU-UHFFFAOYSA-N |
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Links |
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Elements |
C
Cl
H
O
N
P
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