9-{5-O-[(S)-{[(2R)-2-Amino-6-({[(1S,2S,4S)-Bicyclo[2.2.1]Hept-5-En-2-Ylmethoxy]Carbonyl}Amino)Hexanoyl]Oxy}(Hydroxy)Phosphoryl]-α-L-Arabinofuranosyl}-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C25H36N7O10P
IUPAC Name [[(2s,3r,4r,5r)-5-(6-aminopurin-9-ium-5-ylium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] (2r)-2-amino-6-[[(1s,4s,5s)-5-bicyclo[2.2.1]hept-2-enyl]methoxycarbonylamino]hexanoate
Molecular Mass 625.568 g·mol−1
Heat of Formation -1811.5 ± 16.7 kJ·mol−1
Dipole Moment 6.02 ± 1.08 D
Volume 701.17 Å 3
Surface Area 589.84 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
InChIKey MYIVZOBPRNLOTH-PEZDGLODSA-N
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