1-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Ium-6-Ylium-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-2-Hydroxy-3,3-Dimethyl-Butanoyl]Amino]Propanoylamino]Ethylsulfanyl]-2-Methyl-3-Oxo-But-1-En-1-Olate

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Properties Simple | Detailed

Formula C26H42N7O18P3S
IUPAC Name 1-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-ium-6-ylium-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-2-methyl-3-oxo-but-1-en-1-olate
Molecular Mass 865.634 g·mol−1
Heat of Formation -3906.5 ± 16.7 kJ·mol−1
Dipole Moment 10.23 ± 1.08 D
Volume 913.99 Å 3
Surface Area 734.63 Å 2
Point Group Symmetry C1
InChIKey HJBMSIYWKRMJGR-LURNCBTNSA-M
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