N-{2-[(4-Azido-3,5,6-Trifluoro-2-Pyridinyl)Amino]Ethyl}Adenosine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C17H20F3N10O7P
IUPAC Name [(2r,3s,4r,5r)-5-[6-[2-[(4-azido-3,5,6-trifluoro-pyridin-1-ium-3-id-2-yl)amino]ethylamino]purine-1,3,7-triium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 564.372 g·mol−1
Heat of Formation -1399.6 ± 16.7 kJ·mol−1
Dipole Moment 3.91 ± 1.08 D
Volume 551.53 Å 3
Surface Area 458.3 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy 1.57 ± eV
Point Group Symmetry C1
InChIKey SVKFLRCQHUOPDJ-XFDMUNLNSA-N
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Elements C F H O N P