(E)-5-(2-Bromovinyl)-2'-Deoxycytidine

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Properties Simple | Detailed

Formula C11H14BrN3O4+
IUPAC Name 4-amino-5-[(e)-2-bromovinyl]-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
Molecular Mass 332.151 g·mol−1
Heat of Formation -553.2 ± 16.7 kJ·mol−1
Dipole Moment 3.96 ± 1.08 D
Volume 318.77 Å 3
Surface Area 280.4 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-5-((e)-2-bromo-vinyl)-1-((2r,4s,5r)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1h-pyrimidin-2-one
  • brvdcyd
  • bvdc
InChIKey AKVDSWDYVDOWDW-PIXDULNESA-N
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Elements H C O Br N