Formula |
C20H28N6O5P2 |
IUPAC Name |
[[4-[[2-(4-aminocyclohexyl)-9-ethyl-purine-1,3,7-triium-6-yl]amino]phenyl]-hydroxy-phosphoryl]methylphosphonic acid |
Molecular Mass |
494.421 g·mol−1 |
Heat of Formation |
-1061.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.31 ± 1.08 D |
Volume |
561.8 Å 3 |
Surface Area |
465.96 Å 2 |
HOMO Energy |
-8.54 ± 0.55 eV |
LUMO Energy |
-0.75 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
YXKLWPGFLXDGAE-HDJSIYSDSA-O |
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Elements |
P
C
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N
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