2-Amino-7-[(2S,3S,4S,5S)-3,4-Dihydroxy-5-(Hydroxymethyl)Pyrrolidin-2-Yl]-1H-Pyrrolo[3,2-D]Pyrimidine-3,5-Diium-7A-Ylium-4-One

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Formula C11H15N5O4
IUPAC Name 2-amino-7-[(2s,3s,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1h-pyrrolo[3,2-d]pyrimidine-3,5-diium-7a-ylium-4-one
Molecular Mass 281.268 g·mol−1
Heat of Formation -511.3 ± 16.7 kJ·mol−1
Dipole Moment 5.24 ± 1.08 D
Volume 309.8 Å 3
Surface Area 275.91 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
InChIKey UUJSUDYWWOYBFU-CKAJHFITSA-O
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