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

Molecule SVG Image

Properties Simple | Detailed

Formula C29H41ClN7O17P3S
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)-4-[[3-[2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanylethylamino]-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butyl] hydrogen phosphate
Molecular Mass 920.112 g·mol−1
Heat of Formation -3719.4 ± 16.7 kJ·mol−1
Dipole Moment 6.71 ± 1.08 D
Volume 969.18 Å 3
Surface Area 784.49 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
InChIKey KSUBWBOYBPUEQL-VXAHOBLNSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl H O N P S