[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(3R)-3-Hydroxy-2,2-Dimethyl-4-Oxo-4-[[3-Oxo-3-[2-(3,3,3-Trifluoro-2-Oxo-Propyl)Sulfanylethylamino]Propyl]Amino]Butyl] Hydrogen Phosphate

Molecule SVG Image

Properties Simple | Detailed

Formula C24H37F3N7O17P3S
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] [(3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3,3,3-trifluoro-2-oxo-propyl)sulfanylethylamino]propyl]amino]butyl] hydrogen phosphate
Molecular Mass 877.569 g·mol−1
Heat of Formation -4386.9 ± 16.7 kJ·mol−1
Dipole Moment 10.61 ± 1.08 D
Volume 896.99 Å 3
Surface Area 750.49 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -1.44 ± eV
Point Group Symmetry C1
InChIKey WWQFOTPEJTZPKV-GRFIIANRSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H O N P S