[Dibromo-[[[(2R,3S,4R,5R)-5-[6-(Diethylamino)Purine-1,3,7-Triium-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Methyl]Phosphonic Acid
Properties
Property | Value |
---|---|
Formula | C15H26Br2N5O12P3 |
IUPAC Name | [dibromo-[[[(2r,3s,4r,5r)-5-[6-(diethylamino)purine-1,3,7-triium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]methyl]phosphonic acid |
Molecular Mass | 721.122 g·mol−1 |
Heat of Formation | -2697.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.93 ± 1.08 D |
Volume | 624.01 Å 3 |
Surface Area | 494.17 Å 2 |
HOMO Energy | -8.71 ± 0.55 eV |
LUMO Energy | 1.41 ± eV |
Point Group Symmetry | C1 |
InChIKey | GFCHIOJMYYHQEV-IDTAVKCVSA-O |
QR Code | Generate QR Code |
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Elements | C H O N P Br |