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

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Properties Simple | Detailed

Formula C12H16N5O3
IUPAC Name 2-amino-5-[[[(1s,4s,5r)-4,5-dihydroxycyclopent-2-en-1-yl]amino]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-1-ium-4a-id-4-one
Molecular Mass 278.287 g·mol−1
Heat of Formation -269.6 ± 16.7 kJ·mol−1
Dipole Moment 4.45 ± 1.08 D
Volume 309.99 Å 3
Surface Area 287.49 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
InChIKey MZTNYBGYRWMFRQ-NHFCRXHXSA-P
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