3-(2-Deoxy-β-D-Erythro-Pentofuranosyl)-6-(4-Heptylphenyl)Furo[2,3-D]Pyrimidin-2(3H)-One

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Properties Simple | Detailed

Formula C24H30N2O5
IUPAC Name 6-(4-heptylphenyl)-3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]furo[2,3-d]pyrimidin-2-one
Molecular Mass 426.505 g·mol−1
Heat of Formation -700.6 ± 16.7 kJ·mol−1
Dipole Moment 8.99 ± 1.08 D
Volume 520.89 Å 3
Surface Area 468.82 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
Synonyms
  • 6-(4-heptyl-phenyl)-3-((2r,4s,5r)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3h-furo[2,3-d]pyrimidin-2-one
  • 6-(4-heptylphenyl)-3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-furo[2,3-d]pyrimidinone
  • 6-(4-heptylphenyl)-3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one
  • 6-(4-heptylphenyl)-3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]furo[2,3-d]pyrimidin-2-one
  • 6-(4-heptylphenyl)-3-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]furo[2,3-d]pyrimidin-2-one
  • cf1712
InChIKey ZQUUSJXDXYKTAJ-KSEOMHKRSA-N
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