1-(β-D-Arabinofuranosyl)-5-[(E)-2-Chlorovinyl]-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C11H13ClN2O6++
IUPAC Name 5-[(e)-2-chlorovinyl]-1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
Molecular Mass 304.684 g·mol−1
Heat of Formation -1016.5 ± 16.7 kJ·mol−1
Dipole Moment 5.17 ± 1.08 D
Volume 317.35 Å 3
Surface Area 275.49 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • 1-beta-arabinofuranosyl-5-(2-chlorovinyl)uracil
  • 1-beta-d-arabinofuranosyl-e-5-(2-chlorovinyl)uracil
  • 2,4(1h,3h)-pyrimidinedione, 1-beta-d-arabinofuranosyl-5-(2-chloroethenyl)-, (e)-
  • 5-[(e)-2-chloroethenyl]-1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
  • 5-[(e)-2-chlorovinyl]-1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]pyrimidine-2,4-dione
  • 5-[(e)-2-chlorovinyl]-1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
  • 5-[(e)-2-chlorovinyl]-1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone
  • cv-ara-u
  • cv-arau
CAS Number(s)
  • 77181-70-5
InChIKey KDLWJEVOPGSPFQ-HQNLTJAPSA-N
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Elements H C N O Cl