S-[2-[3-[[4-[[[5-(6-Amino-7H-Purin-9-Ium-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] 2-(4-Isobutylphenyl)Propanethioate

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Properties Simple | Detailed

Formula C34H53N7O17P3S+
IUPAC Name s-[2-[3-[[4-[[[5-(6-amino-7h-purin-9-ium-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] 2-(4-isobutylphenyl)propanethioate
Molecular Mass 956.808 g·mol−1
Heat of Formation 9487.2 ± 16.7 kJ·mol−1
Dipole Moment 97.36 ± 1.08 D
Volume 1223.46 Å 3
Surface Area 1229.52 Å 2
HOMO Energy -6.27 ± 0.55 eV
LUMO Energy -6.02 ± eV
Point Group Symmetry C1
InChIKey NXIKDQUQQHUCJH-NGSKWOHTSA-O
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