[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [Hydroxy-[Hydroxy-[Hydroxy-[[(2R,3S,5R)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methoxy]Phosphoryl]Oxy-Phosphoryl]Oxy-Phosphoryl] Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C20H30N7O23P5++ |
IUPAC Name | [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [hydroxy-[hydroxy-[hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-ium-5-id-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl]oxy-phosphoryl]oxy-phosphoryl] hydrogen phosphate |
Molecular Mass | 891.354 g·mol−1 |
Heat of Formation | -5477.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.47 ± 1.08 D |
Volume | 846.96 Å 3 |
Surface Area | 668.68 Å 2 |
HOMO Energy | -9.21 ± 0.55 eV |
LUMO Energy | -1.43 ± eV |
Point Group Symmetry | C1 |
InChIKey | SZNGCOGIOZXTFN-SLFMBYJQSA-Q |
QR Code | Generate QR Code |
Links | |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C H O N |