[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Oxido-Phosphoryl] [(2R,3S,5R)-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)-2-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl] Phosphate
Properties
Property | Value |
---|---|
Formula | C20H29N7O20P4++ |
IUPAC Name | [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [(2r,3s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-ium-5-id-1-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] phosphate |
Molecular Mass | 811.374 g·mol−1 |
Heat of Formation | -4248.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.02 ± 1.08 D |
Volume | 786.4 Å 3 |
Surface Area | 574.64 Å 2 |
HOMO Energy | -9.29 ± 0.55 eV |
LUMO Energy | -1.26 ± eV |
Point Group Symmetry | C1 |
InChIKey | RDFXAFUSLHUCOT-SLFMBYJQSA-Q |
QR Code | Generate QR Code |
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Elements | P C H O N |