4-Amino-7-B-D-Ribofuranosyl-7H-Pyrrolo[2,3-D]Pyrimidine-5-Carbonitrile

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Formula C12H13N5O4
IUPAC Name 4-amino-7-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidin-7-ium-5-carbonitrile
Molecular Mass 291.263 g·mol−1
Heat of Formation -400.7 ± 16.7 kJ·mol−1
Dipole Moment 1.39 ± 1.08 D
Volume 313.02 Å 3
Surface Area 279.37 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
InChIKey XOKJUSAYZUAMGJ-PPSWKLDYSA-N
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