9-[(2R,4Ar,6S,7Ar)-2-Hydroxy-2-Oxo-4A,6,7,7A-Tetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-6-Yl]-6-Amino-1H-Purine-3,7-Diium-6-Id-2-One

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Formula C10H13N5O6P
IUPAC Name 9-[(2r,4ar,6s,7ar)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-amino-1h-purine-3,7-diium-6-id-2-one
Molecular Mass 330.214 g·mol−1
Heat of Formation -1103.0 ± 16.7 kJ·mol−1
Dipole Moment 6.73 ± 1.08 D
Volume 323.18 Å 3
Surface Area 288.8 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
InChIKey IWLUQRBRGMWBHX-PBXRRBTRSA-P
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