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

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Formula C12H18N5O3
IUPAC Name 2-amino-7-[[(1s,3r,4r)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-1-ium-4a-id-4-one
Molecular Mass 280.303 g·mol−1
Heat of Formation -343.7 ± 16.7 kJ·mol−1
Dipole Moment 1.93 ± 1.08 D
Volume 322.69 Å 3
Surface Area 292.38 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 2.76 ± eV
Point Group Symmetry C1
InChIKey NTAJJYXCHKWDOJ-VECYDMFJSA-O
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