S-{(9R)-1-[(2R,3S,4R,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} 3-[(3As,4S,7As)-7A-Methyl-1,5-Dioxooctahydro-1H-Inden-4-Yl]Propanethioate

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Properties Simple | Detailed

Formula C34H12N7O19P3S+
IUPAC Name s-{(9r)-1-[(2r,3s,4r,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} 3-[(3as,4s,7as)-7a-methyl-1,5-dioxooctahydro-1h-inden-4-yl]propanethioate
Molecular Mass 947.481 g·mol−1
Heat of Formation -499.8 ± 16.7 kJ·mol−1
Dipole Moment 18.88 ± 1.08 D
Volume 903.95 Å 3
Surface Area 638.15 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -3.39 ± eV
Point Group Symmetry C1
InChIKey IWNWMTZIJPUDPV-REBUBQPVSA-N
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