Formula |
C22H20N6O6 |
IUPAC Name |
[(2s)-3-(1,3-dimethyl-2,6-dioxo-purin-9-ium-5-id-7-yl)-2-(3h-pyridin-1-ium-3-ide-5-carbonyloxy)propyl] 3h-pyridin-1-ium-3-ide-5-carboxylate |
Molecular Mass |
464.431 g·mol−1 |
Heat of Formation |
-609.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.48 ± 1.08 D |
Volume |
512.03 Å 3 |
Surface Area |
411.09 Å 2 |
HOMO Energy |
-8.94 ± 0.55 eV |
LUMO Energy |
1.83 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ZMXGPGZXYJCCHZ-INIZCTEOSA-N |
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Elements |
H
C
O
N
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