[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [[[(2S,3S,5R)-3-Azido-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl] Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C20H31N10O19P4++ |
IUPAC Name | [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [[[(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate |
Molecular Mass | 839.411 g·mol−1 |
Heat of Formation | -4078.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.74 ± 1.08 D |
Volume | 806.53 Å 3 |
Surface Area | 645.97 Å 2 |
HOMO Energy | -8.99 ± 0.55 eV |
LUMO Energy | -1.66 ± eV |
Point Group Symmetry | C1 |
InChIKey | VQIQCSMBFPHWLH-SLFMBYJQSA-Q |
QR Code | Generate QR Code |
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Elements | P C H O N |