[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-2-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl] Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C19H27N7O20P4++ |
IUPAC Name | [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,5r)-5-(2,4-dioxo-5h-pyrimidin-1-ium-5-id-1-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate |
Molecular Mass | 797.348 g·mol−1 |
Heat of Formation | -4538.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.50 ± 1.08 D |
Volume | 753.58 Å 3 |
Surface Area | 601.66 Å 2 |
HOMO Energy | -9.23 ± 0.55 eV |
LUMO Energy | -1.29 ± eV |
Point Group Symmetry | C1 |
InChIKey | VVFKJGBWUFEQHL-LNAOLWRRSA-Q |
QR Code | Generate QR Code |
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Elements | P C H O N |