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

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Properties Simple | Detailed

Formula C19H28N2O5+
IUPAC Name 3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-octyl-furo[2,3-d]pyrimidin-2-one
Molecular Mass 364.436 g·mol−1
Heat of Formation -833.6 ± 16.7 kJ·mol−1
Dipole Moment 5.63 ± 1.08 D
Volume 445.75 Å 3
Surface Area 402.15 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • 3-((2r,4s,5r)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-6-octyl-3h-furo[2,3-d]pyrimidin-2-one
  • 3-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-6-octyl-3h-furo[2,3-d]pyrimidin-2-one
  • 3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-6-octyl-2-furo[2,3-d]pyrimidinone
  • 3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-octyl-furo[2,3-d]pyrimidin-2-one
  • 3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-octylfuro[2,3-d]pyrimidin-2-one
  • 3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-octyl-furo[2,3-d]pyrimidin-2-one
  • 3-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-6-octyl-furo[2,3-d]pyrimidin-2-one
  • cf1368
InChIKey WNJULOODRKXPLP-GVDBMIGSSA-N
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