5-Bromo-7-Pentofuranosyl-7H-Pyrrolo[2,3-D]Pyrimidin-4-Amine

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Formula C11H13BrN4O4
IUPAC Name (2s,3s,4s,5s)-2-(4-amino-5-bromo-pyrrolo[2,3-d]pyrimidin-7-ium-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 345.149 g·mol−1
Heat of Formation -515.5 ± 16.7 kJ·mol−1
Dipole Moment 3.64 ± 1.08 D
Volume 318.37 Å 3
Surface Area 276.42 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy 2.26 ± eV
Point Group Symmetry C1
InChIKey ZWTPRQXZXQEKFT-YRCUVVFSSA-N
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Elements H C O Br N