S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-2-Hydroxy-3,3-Dimethyl-Butanoyl]Amino]Propanoylamino]Ethyl] 3-[(3As,4S,7As)-7A-Methyl-1,5-Dioxo-2,3,3A,4,6,7-Hexahydroinden-4-Yl]Propanethioate

Molecule SVG Image

Properties Simple | Detailed

Formula C34H54N7O19P3S
IUPAC Name s-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] 3-[(3as,4s,7as)-7a-methyl-1,5-dioxo-2,3,3a,4,6,7-hexahydroinden-4-yl]propanethioate
Molecular Mass 989.814 g·mol−1
Heat of Formation -4200.2 ± 16.7 kJ·mol−1
Dipole Moment 9.47 ± 1.08 D
Volume 1068.33 Å 3
Surface Area 875.46 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -1.43 ± eV
Point Group Symmetry C1
InChIKey UHTAAMIOXWIPNN-MDQHZGBLSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C H O N P S