6-[(2S,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

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Properties Simple | Detailed

Formula C11H16N3O4
IUPAC Name 6-[(2s,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 -515.5 ± 16.7 kJ·mol−1
Dipole Moment 5.61 ± 1.08 D
Volume 276.73 Å 3
Surface Area 255.81 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
InChIKey ILXNUPHLNGHIHP-WPXGONGXSA-O
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