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

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Properties Simple | Detailed

Formula C12H15IN2O4
IUPAC Name 1-[(1s,3r,4s)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-[(e)-2-iodovinyl]pyrimidine-2,4-dione
Molecular Mass 378.163 g·mol−1
Heat of Formation -606.5 ± 16.7 kJ·mol−1
Dipole Moment 4.71 ± 1.08 D
Volume 334.41 Å 3
Surface Area 297.35 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(3-hydroxy-4-(hydroxymethyl)cyclopentyl)-5-(2-iodovinyl)-2,4-(1h,3h)-pyrimidinedione
  • 1-[(1s,3r,4s)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-[(e)-2-iodoethenyl]pyrimidine-2,4-dione
  • 1-[(1s,3r,4s)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-[(e)-2-iodovinyl]pyrimidine-2,4-dione
  • 1-[(1s,3r,4s)-3-hydroxy-4-methylol-cyclopentyl]-5-[(e)-2-iodovinyl]pyrimidine-2,4-quinone
  • 2,4(1h,3h)-pyrimidinedione, 1-(3-hydroxy-4-(hydroxymethyl)cyclopentyl)-5-(2-iodoethenyl)-, (1alpha(e),3beta,4alpha)-(+-)-
  • carbocyclic 2'-deoxy-5-(2-iodovinyl)uridine
  • carbocyclic 5-(2-iodovinyl)-2'-deoxyuridine
  • carbocyclic ivdu
CAS Number(s)
  • 91661-25-5
InChIKey IVPBYJXSUIEMOB-XSHPSBQMSA-N
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