4-Amino-5-[(E)-2-Bromovinyl]-1-[(3Xi)-2-Deoxy-β-D-Glycero-Pentofuranosyl]-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C11H14BrN3O4
IUPAC Name 4-amino-5-[(e)-2-bromovinyl]-1-[(2r,4r,5s)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-3-ium-2-one
Molecular Mass 332.151 g·mol−1
Heat of Formation -565.0 ± 16.7 kJ·mol−1
Dipole Moment 1.64 ± 1.08 D
Volume 320.99 Å 3
Surface Area 290.83 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 2.48 ± eV
Point Group Symmetry C1
InChIKey AKVDSWDYVDOWDW-UDGIAEMFSA-O
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Elements H C O Br N