[(2R,3R)-2-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-2,3-Dihydrofuran-5-Yl]Methoxy-N-[[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Phosphonamidic Acid
Properties
Property | Value |
---|---|
Formula | C20H26N11O15P3 |
IUPAC Name | [(2r,3r)-2-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-2,3-dihydrofuran-5-yl]methoxy-n-[[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]phosphonamidic acid |
Molecular Mass | 753.406 g·mol−1 |
Heat of Formation | -2931.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.46 ± 1.08 D |
Volume | 740.15 Å 3 |
Surface Area | 531.96 Å 2 |
HOMO Energy | -8.88 ± 0.55 eV |
LUMO Energy | -1.43 ± eV |
Point Group Symmetry | C1 |
InChIKey | DPWSCFPUTACTCA-XJBFIMGMSA-P |
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Elements | P C H O N |