2-Amino-7-[(2S,3S,4R,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Pyrrolidin-2-Yl]-3,5-Dihydropyrrolo[3,2-D]Pyrimidin-1-Ium-4A-Id-4-One

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Formula C11H16N5O4
IUPAC Name 2-amino-7-[(2s,3s,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-1-ium-4a-id-4-one
Molecular Mass 282.276 g·mol−1
Heat of Formation -557.3 ± 16.7 kJ·mol−1
Dipole Moment 5.10 ± 1.08 D
Volume 308.55 Å 3
Surface Area 274.26 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
InChIKey UUJSUDYWWOYBFU-RERLRJHNSA-O
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