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

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Properties Simple | Detailed

Formula C20H22N2O5+
IUPAC Name 3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-(4-propylphenyl)furo[2,3-d]pyrimidin-2-one
Molecular Mass 370.399 g·mol−1
Heat of Formation -619.3 ± 16.7 kJ·mol−1
Dipole Moment 7.31 ± 1.08 D
Volume 427.9 Å 3
Surface Area 382.07 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-6-(4-propylphenyl)-2-furo[2,3-d]pyrimidinone
  • 3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(4-propylphenyl)furo[2,3-d]pyrimidin-2-one
  • 3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-(4-propylphenyl)furo[2,3-d]pyrimidin-2-one
  • 3-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-6-(4-propylphenyl)furo[2,3-d]pyrimidin-2-one
  • 6-(4-propyl-phenyl)-3-((2r,4s,5r)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3h-furo[2,3-d]pyrimidin-2-one
  • cf1698
InChIKey UUIHVPRXEAWBPR-CGTJXYLNSA-N
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