7-[[(1R,3R,4R)-3-Hydroxy-4-(Hydroxymethyl)Pyrrolidin-1-Yl]Methyl]-1H-Pyrrolo[3,2-D]Pyrimidine-3,5-Diium-7-Id-4-One

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Properties Simple | Detailed

Formula C12H16N4O3
IUPAC Name 7-[[(1r,3r,4r)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1h-pyrrolo[3,2-d]pyrimidine-3,5-diium-7-id-4-one
Molecular Mass 264.280 g·mol−1
Heat of Formation -336.2 ± 16.7 kJ·mol−1
Dipole Moment 5.48 ± 1.08 D
Volume 305.44 Å 3
Surface Area 273.31 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
InChIKey INYNDIISMRRGDN-SQQPQDOJSA-O
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