5-[(Z)-2-Bromovinyl]-2'-Deoxyuridine

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Properties Simple | Detailed

Formula C11H13BrN2O5++
IUPAC Name 5-[(z)-2-bromovinyl]-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-1-ium-5-ide-2,4-dione
Molecular Mass 333.135 g·mol−1
Heat of Formation -808.3 ± 16.7 kJ·mol−1
Dipole Moment 3.28 ± 1.08 D
Volume 305.34 Å 3
Surface Area 264.66 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
InChIKey ODZBBRURCPAEIQ-IWMFZOCNSA-P
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Elements H C O Br N