(2R,4Ar,6R,7S,7Ar)-6-(6-Aminopurine-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 C10H12N5O6P
IUPAC Name (2r,4ar,6r,7s,7ar)-6-(6-aminopurine-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 329.206 g·mol−1
Heat of Formation -1049.6 ± 16.7 kJ·mol−1
Dipole Moment 5.34 ± 1.08 D
Volume 322.89 Å 3
Surface Area 278.46 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 2.66 ± eV
Point Group Symmetry C1
InChIKey LCASBXQFUSUVRR-XJCFNFQFSA-O
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