2-(6-Aminopurine-1,3,7-Triium-9-Yl)Ethoxymethyl-[Hydroxy(Phosphonooxy)Phosphoryl]Oxy-Phosphinic Acid
Properties
Property | Value |
---|---|
Formula | C8H16N5O10P3 |
IUPAC Name | 2-(6-aminopurine-1,3,7-triium-9-yl)ethoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid |
Molecular Mass | 435.161 g·mol−1 |
Heat of Formation | -2470.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.45 ± 1.08 D |
Volume | 405.46 Å 3 |
Surface Area | 329.1 Å 2 |
HOMO Energy | -9.20 ± 0.55 eV |
LUMO Energy | 1.63 ± eV |
Point Group Symmetry | C1 |
InChIKey | MNUPAGMJNJBMNR-UHFFFAOYSA-O |
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Elements | P C H O N |