5-Bromo-1-(2-Deoxy-β-D-Erythro-Pentofuranosyl)-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C9H11BrN2O4+
IUPAC Name 5-bromo-1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
Molecular Mass 291.099 g·mol−1
Heat of Formation -586.1 ± 16.7 kJ·mol−1
Dipole Moment 6.18 ± 1.08 D
Volume 266.55 Å 3
Surface Area 245.96 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
InChIKey ZVJGRUIFYOSAMF-RNJXMRFFSA-N
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Elements H C O Br N