1-{5-[(Bromoacetyl)Amino]-2,5-Dideoxypentofuranosyl}-5-Methyl-2,4(1H,3H)-Pyrimidinedione

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Formula C12H16BrN3O5
IUPAC Name 2-bromo-n-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl]acetamide
Molecular Mass 362.177 g·mol−1
Heat of Formation -900.3 ± 16.7 kJ·mol−1
Dipole Moment 3.21 ± 1.08 D
Volume 360.43 Å 3
Surface Area 308.47 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
InChIKey ADGOHIZJIRUSTK-MRTMQBJTSA-N
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Elements H C O Br N