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

Molecule SVG Image

Properties Simple | Detailed

Formula C12H15BrN2O4
IUPAC Name 5-[(e)-2-bromovinyl]-1-[(1s,3r,4s)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
Molecular Mass 331.163 g·mol−1
Heat of Formation -656.6 ± 16.7 kJ·mol−1
Dipole Moment 4.60 ± 1.08 D
Volume 323.81 Å 3
Surface Area 288.32 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-c-bvdu
  • 1-(3-hydroxy-4-(hydroxymethyl)-cyclopentyl)-5-(2-bromovinyl)-2,4-(1h,3h)-pyrimidinedione
  • 2,4(1h,3h)-pyrimidinedione, 5-((e)-2-bromoethenyl)-1-(3-hydroxy-4-(hydroxymethyl)cyclopentyl)-
  • 2,4(1h,3h)-pyrimidinedione, 5-(2-bromoethenyl)-1-(3-hydroxy-4-(hydroxymethyl)cyclopentyl)-, (1alpha(e),3beta,4alpha)-(+-)-
  • 2,4(1h,3h)-pyrimidinedione, 5-(2-bromoethenyl)-1-(3-hydroxy-4-(hydroxymethyl)cyclopentyl)-, (1r-(1alpha(e),3beta,4alpha))-
  • 2,4(1h,3h)-pyrimidinedione, 5-[(e)-2-bromoethenyl]-1-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-
  • 5-(2-bromoethenyl)-1-(3-hydroxy-4-(hydroxymethyl)cyclopentyl)-2,4(1h,3h)-pyrimidinedione (1r-(1alpha(e),3beta,4alpha))-
  • 5-[(e)-2-bromoethenyl]-1-[(1s,3r,4s)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
  • 5-[(e)-2-bromovinyl]-1-[(1s,3r,4s)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
  • 5-[(e)-2-bromovinyl]-1-[(1s,3r,4s)-3-hydroxy-4-methylol-cyclopentyl]pyrimidine-2,4-quinone
  • c-bvdu
  • carbocyclic 5-(2-bromovinyl)-2'-deoxyuridine
  • carbocyclic bvdu
  • ent-16
CAS Number(s)
  • 95463-56-2
  • 91661-22-2
  • 120963-50-0
InChIKey KAVDAMFOTJIBCK-XSHPSBQMSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Br N