5'-O-[(R)-{[(2S)-2-Amino-6-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)Hexanoyl]Oxy}(Hydroxy)Phosphoryl]Adenosine

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Properties Simple | Detailed

Formula C21H34N7O10P
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] (2s)-2-amino-6-(tert-butoxycarbonylamino)hexanoate
Molecular Mass 575.509 g·mol−1
Heat of Formation -2009.5 ± 16.7 kJ·mol−1
Dipole Moment 5.86 ± 1.08 D
Volume 649.01 Å 3
Surface Area 543.94 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
InChIKey XYDQQGDGPLGSGU-URQYDQELSA-N
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