2-[2-[2-[3-[[4-[[[5-(6-Aminopurin-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-Oxo-Ethyl]Sulfanylacetic Acid

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Properties Simple | Detailed

Formula C25H12N7O19P3S2
IUPAC Name 2-[2-[2-[3-[[4-[[[5-(6-aminopurin-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-oxo-ethyl]sulfanylacetic acid
Molecular Mass 871.450 g·mol−1
Heat of Formation 585.5 ± 16.7 kJ·mol−1
Dipole Moment 51.30 ± 1.08 D
Volume 803.67 Å 3
Surface Area 734.16 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy -3.84 ± eV
Point Group Symmetry C1
InChIKey GKSSRSUPHZUOQO-UHFFFAOYSA-N
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