[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-[[Hydroxy(Phosphonooxy)Phosphoryl]Methyl]Phosphinic Acid
Properties
Property | Value |
---|---|
Formula | C11H20N5O12P3 |
IUPAC Name | [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid |
Molecular Mass | 507.224 g·mol−1 |
Heat of Formation | -2718.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.26 ± 1.08 D |
Volume | 487.92 Å 3 |
Surface Area | 421.22 Å 2 |
HOMO Energy | -9.27 ± 0.55 eV |
LUMO Energy | -1.15 ± eV |
Point Group Symmetry | C1 |
InChIKey | OLOZVUTYRCOMOD-IOSLPCCCSA-O |
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Elements | P C H O N |