4-Amino-7-[(2S,3S,5R)-3-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Pyrrolo[2,3-D]Pyrimidine-1,3-Diium-4A-Ide-5-Carboxamide

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Properties Simple | Detailed

Formula C12H16N5O4
IUPAC Name 4-amino-7-[(2s,3s,5r)-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-ide-5-carboxamide
Molecular Mass 294.287 g·mol−1
Heat of Formation -543.6 ± 16.7 kJ·mol−1
Dipole Moment 5.34 ± 1.08 D
Volume 322.12 Å 3
Surface Area 284.28 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
InChIKey NYGLSXNHOGCLFE-GBWPEJGWSA-O
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