2-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-8-(4-Methylanilino)Purine-1,3,7-Triium-6-One; 3-Oxidodioxaphosphirane

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Formula C22H22N6O8P
IUPAC Name 2-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-[4-[3-(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)phenyl]anilino]-3h-purine-1,7-diium-4-id-6-one
Molecular Mass 529.419 g·mol−1
Heat of Formation -841.3 ± 16.7 kJ·mol−1
Dipole Moment 14.71 ± 1.08 D
Volume 552.4 Å 3
Surface Area 472.01 Å 2
HOMO Energy -8.14 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
InChIKey SZRVCSYHRZGROV-WVSUBDOOSA-L
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