[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-[[(2S,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl]Methyl]Phosphinic Acid
Properties
Property | Value |
---|---|
Formula | C20H27N7O14P2++ |
IUPAC Name | [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-[[(2s,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]methyl]phosphinic acid |
Molecular Mass | 651.414 g·mol−1 |
Heat of Formation | -2805.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.92 ± 1.08 D |
Volume | 661.79 Å 3 |
Surface Area | 470.89 Å 2 |
HOMO Energy | -8.90 ± 0.55 eV |
LUMO Energy | -1.62 ± eV |
Point Group Symmetry | C1 |
InChIKey | AFEHZOWDHVJCPM-SZYJPCJTSA-Q |
QR Code | Generate QR Code |
Links | |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C H O N |