[(2R,3S,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-[[Hydroxy(Phosphonooxy)Phosphoryl]Methyl]Phosphinic Acid
Properties
Property | Value |
---|---|
Formula | C11H18N5O11P3 |
IUPAC Name | [(2r,3s,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-[[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid |
Molecular Mass | 489.209 g·mol−1 |
Heat of Formation | -2529.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.04 ± 1.08 D |
Volume | 479.54 Å 3 |
Surface Area | 417.2 Å 2 |
HOMO Energy | -8.99 ± 0.55 eV |
LUMO Energy | -1.66 ± eV |
Point Group Symmetry | C1 |
InChIKey | MDESLEQFFZTOFT-XLPZGREQSA-O |
QR Code | Generate QR Code |
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Elements | P C H O N |