[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-[[Hydroxy(Phosphonooxy)Phosphoryl]Methyl]Phosphinic Acid
Properties
Property | Value |
---|---|
Formula | C11H21N5O15P4 |
IUPAC Name | [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-[[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid |
Molecular Mass | 587.204 g·mol−1 |
Heat of Formation | -3566.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.97 ± 1.08 D |
Volume | 560.93 Å 3 |
Surface Area | 467.77 Å 2 |
HOMO Energy | -9.25 ± 0.55 eV |
LUMO Energy | -1.48 ± eV |
Point Group Symmetry | C1 |
InChIKey | NNXFFDHUUYCGEA-IOSLPCCCSA-O |
QR Code | Generate QR Code |
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Elements | P C H O N |