(4As,6R,7R,7Ar)-6-(6-{[(2S)-1-Phenyl-2-Propanyl]Amino}-9H-Purin-9-Yl)Tetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinine-2,7-Diol 2-Oxide

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Formula C19H22N5O6P
IUPAC Name (2r,4as,6r,7r,7ar)-2-hydroxy-6-[6-[[(1s)-1-methyl-2-phenyl-ethyl]amino]purine-1,3,7-triium-9-yl]-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
Molecular Mass 447.382 g·mol−1
Heat of Formation -968.1 ± 16.7 kJ·mol−1
Dipole Moment 1.50 ± 1.08 D
Volume 489.83 Å 3
Surface Area 395.09 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
InChIKey MKYZONTUKKUGCB-IQAYWSRLSA-N
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