[(2R,3R,4R,5R)-2-(6-Aminopurine-1,3,7-Triium-9-Yl)-5-[[(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxymethyl]-4-Hydroxy-Tetrahydrofuran-3-Yl] Dihydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C19H24N7O12P++ |
IUPAC Name | [(2r,3r,4r,5r)-2-(6-aminopurine-1,3,7-triium-9-yl)-5-[[(2r,3s,4r,5r)-5-(2,4-dioxo-5h-pyrimidin-1-ium-5-id-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] dihydrogen phosphate |
Molecular Mass | 573.407 g·mol−1 |
Heat of Formation | -2109.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.74 ± 1.08 D |
Volume | 599.0 Å 3 |
Surface Area | 461.45 Å 2 |
HOMO Energy | -9.17 ± 0.55 eV |
LUMO Energy | -0.75 ± eV |
Point Group Symmetry | C1 |
InChIKey | DKZHLTKBGLLEFR-KPKSGTNCSA-Q |
QR Code | Generate QR Code |
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Elements | P C H O N |