1-(3-Bromo-3-Deoxy-β-D-Arabinofuranosyl)-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C9H13BrN2O5++
IUPAC Name 1-(3-bromo-3-deoxy-β-d-arabinofuranosyl)-2,4(1h,3h)-pyrimidinedione
Molecular Mass 309.114 g·mol−1
Heat of Formation -850.8 ± 16.7 kJ·mol−1
Dipole Moment 2.93 ± 1.08 D
Volume 278.51 Å 3
Surface Area 245.35 Å 2
HOMO Energy -9.95 ± 0.55 eV
LUMO Energy 2.40 ± eV
Point Group Symmetry C1
InChIKey XMOJQZGVVRHTMQ-GVYWOMJSSA-P
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Elements H C O Br N