4-Ammonio-1-(2-Deoxy-2-Fluoropentofuranosyl)-5-Iodo-2-Oxo-1,2-Dihydropyrimidin-1-Ium

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Properties Simple | Detailed

Formula C9H11FIN3O4
IUPAC Name 4-amino-1-[(2r,3s,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-iodo-pyrimidin-2-one
Molecular Mass 371.104 g·mol−1
Heat of Formation -721.9 ± 16.7 kJ·mol−1
Dipole Moment 4.21 ± 1.08 D
Volume 296.15 Å 3
Surface Area 264.25 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -1.17 ± eV
Point Group Symmetry C1
InChIKey GIMSJJHKKXRFGV-BYPJNBLXSA-O
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