S-{(9R)-1-[(2R,3R,5R)-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} (2E)-2-Hexadecenethioate

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Formula C37H18N7O17P3S
IUPAC Name s-{(9r)-1-[(2r,3r,5r)-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} (2e)-2-hexadecenethioate
Molecular Mass 957.562 g·mol−1
Heat of Formation 547.1 ± 16.7 kJ·mol−1
Dipole Moment 4.66 ± 1.08 D
Volume 817.98 Å 3
Surface Area 570.46 Å 2
HOMO Energy -7.79 ± 0.55 eV
LUMO Energy -3.44 ± eV
Point Group Symmetry C1
InChIKey JUPAQFRKPHPXLD-KXCAMECGSA-N
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