[[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-N-(4-Azidophenyl)Phosphonamidic Acid

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Formula C16H21N9O10P2
IUPAC Name [[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-n-(4-azidophenyl)phosphonamidic acid
Molecular Mass 561.340 g·mol−1
Heat of Formation -1705.6 ± 16.7 kJ·mol−1
Dipole Moment 12.40 ± 1.08 D
Volume 565.08 Å 3
Surface Area 395.09 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -1.68 ± eV
Point Group Symmetry C1
InChIKey KSCRUWXLFYMYKZ-SDBHATRESA-P
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