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

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Formula C22H26N2O5
IUPAC Name 3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-(4-pentylphenyl)furo[2,3-d]pyrimidin-2-one
Molecular Mass 398.452 g·mol−1
Heat of Formation -649.7 ± 16.7 kJ·mol−1
Dipole Moment 7.40 ± 1.08 D
Volume 473.96 Å 3
Surface Area 423.51 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-6-(4-pentylphenyl)-2-furo[2,3-d]pyrimidinone
  • 3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(4-pentylphenyl)furo[2,3-d]pyrimidin-2-one
  • 3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-(4-pentylphenyl)furo[2,3-d]pyrimidin-2-one
  • 6-(4-amylphenyl)-3-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]furo[2,3-d]pyrimidin-2-one
  • 6-(4-pentyl-phenyl)-3-((2r,4s,5r)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3h-furo[2,3-d]pyrimidin-2-one
  • cf1743
InChIKey MFGSDSRTGUVZQG-DFQSSKMNSA-N
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