[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(6-Aminopurin-9-Ium-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxymethoxy]-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

Molecule SVG Image

Properties Simple | Detailed

Formula C21H28N7O11P
IUPAC Name [(2r,3s,5r)-3-[[(2r,3s,5r)-5-(6-aminopurin-9-ium-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxymethoxy]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 585.461 g·mol−1
Heat of Formation -1980.7 ± 16.7 kJ·mol−1
Dipole Moment 8.96 ± 1.08 D
Volume 617.54 Å 3
Surface Area 517.85 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
InChIKey KEPSJDYQWMTMPP-KPRKPIBOSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N