4-Amino-1-[(2R,3S,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)-3-Isocyano-Tetrahydrofuran-2-Yl]Pyrimidin-3-Ium-2-One

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Formula C10H13N4O4
IUPAC Name 4-amino-1-[(2r,3s,4s,5r)-4-hydroxy-5-(hydroxymethyl)-3-isocyano-tetrahydrofuran-2-yl]pyrimidin-3-ium-2-one
Molecular Mass 253.235 g·mol−1
Heat of Formation -406.1 ± 16.7 kJ·mol−1
Dipole Moment 3.93 ± 1.08 D
Volume 285.84 Å 3
Surface Area 251.5 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy 2.57 ± eV
Point Group Symmetry C1
InChIKey MHKFJUFMSUKSEA-VCGXYPBASA-O
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