5-[(E)-2-Bromovinyl]-1-[(1R,3S,4R)-3-Hydroxy-4-(Hydroxymethyl)Cyclopentyl]-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C12H15BrN2O4
IUPAC Name 5-[(e)-2-bromovinyl]-1-[(1r,3s,4r)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
Molecular Mass 331.163 g·mol−1
Heat of Formation -656.9 ± 16.7 kJ·mol−1
Dipole Moment 5.45 ± 1.08 D
Volume 323.23 Å 3
Surface Area 287.54 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-c-bvdu
  • 5-((e)-2-bromo-vinyl)-1-((1r,3s,4r)-3-hydroxy-4-hydroxymethyl-cyclopentyl)-1h-pyrimidine-2,4-dione
InChIKey KAVDAMFOTJIBCK-CTNBOOGPSA-N
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Elements H C O Br N