9-[(6S)-6-C-[(2S,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]-5-Deoxy-6-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)-β-D-Ribo-Hexofuranosyl]-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C20H27N10O16P3
IUPAC Name [[(1s)-1,2-bis[(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]ethoxy]-hydroxy-phosphoryl] dihydroxyphosphoryl hydrogen phosphate
Molecular Mass 756.407 g·mol−1
Heat of Formation -3309.3 ± 16.7 kJ·mol−1
Dipole Moment 0.90 ± 1.08 D
Volume 731.85 Å 3
Surface Area 553.79 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -1.66 ± eV
Point Group Symmetry C1
InChIKey CNUZICGKLOTDRJ-ISLWMSOASA-N
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