6-(1H-Benzimidazol-1-Yl)Tetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinine-2,7-Diol 2-Oxide

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Formula C12H13N2O6P
IUPAC Name (2r,4ar,6r,7r,7ar)-6-(benzimidazol-1-ium-1-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
Molecular Mass 312.215 g·mol−1
Heat of Formation -1115.4 ± 16.7 kJ·mol−1
Dipole Moment 5.47 ± 1.08 D
Volume 316.56 Å 3
Surface Area 279.81 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 2.63 ± eV
Point Group Symmetry C1
InChIKey IAVPOTOUQLKMJA-WISYIIOYSA-N
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