Isopropyl (2S)-2-[[[(2R,3R,4R,5R)-5-(2-Amino-6-Methoxy-Purine-1,3,7-Triium-9-Yl)-4-Fluoro-3-Hydroxy-4-Methyl-Tetrahydrofuran-2-Yl]Methoxy-Phenoxy-Phosphoryl]Amino]Propanoate

Molecule SVG Image

Properties Simple | Detailed

Formula C24H32FN6O8P
IUPAC Name isopropyl (2s)-2-[[[(2r,3r,4r,5r)-5-(2-amino-6-methoxy-purine-1,3,7-triium-9-yl)-4-fluoro-3-hydroxy-4-methyl-tetrahydrofuran-2-yl]methoxy-phenoxy-phosphoryl]amino]propanoate
Molecular Mass 582.518 g·mol−1
Heat of Formation -1633.8 ± 16.7 kJ·mol−1
Dipole Moment 6.12 ± 1.08 D
Volume 646.05 Å 3
Surface Area 442.86 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy 2.62 ± eV
Point Group Symmetry C1
InChIKey OKNWJGQRLYGSBW-LZEIJKKFSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H O N P