4-Amino-7-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrothiophen-2-Yl]Pyrrolo[2,3-D]Pyrimidin-7-Ium-5-Carbonitrile

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Formula C12H13N5O3S
IUPAC Name 4-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrrolo[2,3-d]pyrimidin-7-ium-5-carbonitrile
Molecular Mass 307.328 g·mol−1
Heat of Formation -188.6 ± 16.7 kJ·mol−1
Dipole Moment 3.70 ± 1.08 D
Volume 334.09 Å 3
Surface Area 296.64 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
InChIKey JVBNKTPGIUECFI-WOUKDFQISA-N
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