S-{1-[5-(6-Amino-9H-Purin-9-Yl)-4-Hydroxy-3-(Phosphonooxy)Tetrahydro-2-Furanyl]-3,5,9-Trihydroxy-8,8-Dimethyl-3,5-Dioxido-10,14-Dioxo-2,4,6-Trioxa-11,15-Diaza-3Lambda~5~,5Lambda~5~-Diphosphaheptadecan-17-Yl} 2-Methyltetradecanethioate

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Properties Simple | Detailed

Formula C36H29N7O17P3S
IUPAC Name s-[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]ethyl] 2-methyltetradecanethioate
Molecular Mass 956.638 g·mol−1
Heat of Formation 1588.9 ± 16.7 kJ·mol−1
Dipole Moment 63.19 ± 1.08 D
Volume 728.43 Å 3
Surface Area 540.38 Å 2
HOMO Energy -6.69 ± 0.55 eV
LUMO Energy -4.05 ± eV
Point Group Symmetry C1
InChIKey KJEFZXSIQKASDI-UHFFFAOYSA-N
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