8-Azido-9-[2-O-{[5-(Dimethylamino)-1-Naphthyl]Sulfonyl}-5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)-D-Ribofuranosyl]-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C22H29N9O15P3S
IUPAC Name [(3r,4r,5r)-2-(6-amino-8-azidopurin-9-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 5-(dimethylamino)naphthalene-1-sulfonate
Molecular Mass 784.503 g·mol−1
Heat of Formation -2837.9 ± 16.7 kJ·mol−1
Dipole Moment 4.73 ± 1.08 D
Volume 769.71 Å 3
Surface Area 565.43 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry C1
InChIKey XFKGXLVNEAKEQS-HAXDFEGKSA-N
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