3-Amino-5-[(E)-2-Bromovinyl]-1-[(2R,5S)-5-(Hydroxymethyl)Tetrahydro-2-Furanyl]-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C11H14BrN3O4
IUPAC Name 3-amino-5-[(e)-2-bromovinyl]-1-[(2r,5s)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
Molecular Mass 332.151 g·mol−1
Heat of Formation -512.2 ± 16.7 kJ·mol−1
Dipole Moment 7.30 ± 1.08 D
Volume 315.59 Å 3
Surface Area 279.36 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • 3-amino-5-[(e)-2-bromoethenyl]-1-[(2r,5s)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
  • 3-amino-5-[(e)-2-bromovinyl]-1-[(2r,5s)-5-(hydroxymethyl)-2-tetrahydrofuranyl]pyrimidine-2,4-dione
  • 3-amino-5-[(e)-2-bromovinyl]-1-[(2r,5s)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
  • 3-amino-5-[(e)-2-bromovinyl]-1-[(2r,5s)-5-methyloltetrahydrofuran-2-yl]pyrimidine-2,4-quinone
InChIKey GRTIWHRFPMVLMN-DXMIZCBPSA-N
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Elements H C O Br N