4-Amino-1-(2-Deoxy-2,2-Difluoro-D-Threo-Pentofuranosyl)-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C9H11F2N3O4
IUPAC Name 4-amino-1-[(2s,4s,5s)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-3-ium-2-one
Molecular Mass 263.198 g·mol−1
Heat of Formation -1018.6 ± 16.7 kJ·mol−1
Dipole Moment 6.40 ± 1.08 D
Volume 269.24 Å 3
Surface Area 244.77 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy 2.43 ± eV
Point Group Symmetry C1
InChIKey SDUQYLNIPVEERB-QXRNQMCJSA-O
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