[(2R,3S,5S)-5-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-3-Hydroxy-3-[2-(Methylamino)Benzoyl]Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C18H24N6O11P2+ |
IUPAC Name | [(2r,3s,5s)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3-hydroxy-3-[2-(methylamino)benzoyl]tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate |
Molecular Mass | 562.364 g·mol−1 |
Heat of Formation | -2216.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 17.40 ± 1.08 D |
Volume | 565.68 Å 3 |
Surface Area | 456.73 Å 2 |
HOMO Energy | -8.52 ± 0.55 eV |
LUMO Energy | -1.65 ± eV |
Point Group Symmetry | C1 |
InChIKey | WBNZHTDNTNHLFI-SOZUMNATSA-P |
QR Code | Generate QR Code |
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Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C H O N |