(2S,4Ar,6R,7R,7As)-6-[6-(Benzylamino)Purine-1,3,7-Triium-9-Yl]-2-Hydroxy-2-Oxo-4A,6,7,7A-Tetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-7-Ol

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Formula C17H18N5O6P
IUPAC Name (2s,4ar,6r,7r,7as)-6-[6-(benzylamino)purine-1,3,7-triium-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
Molecular Mass 419.328 g·mol−1
Heat of Formation -880.1 ± 16.7 kJ·mol−1
Dipole Moment 5.49 ± 1.08 D
Volume 440.75 Å 3
Surface Area 391.43 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
InChIKey DMOSDVZRJXDZGA-LSCFUAHRSA-O
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