[Hydroxy-[[(2S,4R,5R)-4-Hydroxy-5-[6-(Methylamino)Purine-1,3,7-Triium-9-Yl]Tetrahydrofuran-2-Yl]Methoxy]Phosphoryl] Phosphono Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C11H18N5O12P3 |
IUPAC Name | [hydroxy-[[(2s,4r,5r)-4-hydroxy-5-[6-(methylamino)purine-1,3,7-triium-9-yl]tetrahydrofuran-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate |
Molecular Mass | 505.208 g·mol−1 |
Heat of Formation | -2896.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.20 ± 1.08 D |
Volume | 492.51 Å 3 |
Surface Area | 373.42 Å 2 |
HOMO Energy | -9.13 ± 0.55 eV |
LUMO Energy | -1.23 ± eV |
Point Group Symmetry | C1 |
InChIKey | SCEKRDUTAQCQSP-MVKOHCKWSA-O |
QR Code | Generate QR Code |
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Elements | P C H O N |