6-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-3H-Imidazo[1,2-C]Pyrimidin-1-Ium-3-Id-5-One

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Properties Simple | Detailed

Formula C11H16N3O4
IUPAC Name 6-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7,8-dihydro-3h-imidazo[1,2-c]pyrimidin-1-ium-3,7,8-triid-5-one
Molecular Mass 254.262 g·mol−1
Heat of Formation -517.1 ± 16.7 kJ·mol−1
Dipole Moment 5.10 ± 1.08 D
Volume 277.43 Å 3
Surface Area 248.46 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy 2.63 ± eV
Point Group Symmetry C1
InChIKey ILXNUPHLNGHIHP-LBTMZUADSA-O
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