9-[(2S,4Ar,6R,7R,7As)-2,7-Dihydroxy-2-Oxo-4A,6,7,7A-Tetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-6-Yl]-2-Amino-8-Bromo-3H-Purine-1,7-Diium-4-Id-6-One

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Formula C10H13BrN5O7P+
IUPAC Name 9-[(2s,4ar,6r,7r,7as)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-amino-8-bromo-3h-purine-1,7-diium-4-id-6-one
Molecular Mass 426.117 g·mol−1
Heat of Formation -1131.6 ± 16.7 kJ·mol−1
Dipole Moment 8.66 ± 1.08 D
Volume 365.81 Å 3
Surface Area 309.46 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -1.26 ± eV
Point Group Symmetry C1
InChIKey XDEGMHXRPRFCAQ-UMMCILCDSA-P
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Elements C H O N P Br