3-β-D-Ribofuranosylthieno(2,3-D)Pyrimidin-4(3H)-One

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Properties Simple | Detailed

Formula C11H12N2O5S+
IUPAC Name 3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]thieno[2,3-d]pyrimidin-4-one
Molecular Mass 284.288 g·mol−1
Heat of Formation -708.3 ± 16.7 kJ·mol−1
Dipole Moment 2.85 ± 1.08 D
Volume 295.34 Å 3
Surface Area 260.9 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 1.79 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-4-thieno[3,2-e]pyrimidinone
  • 3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]thieno[3,2-e]pyrimidin-4-one
  • 3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]thieno[3,2-e]pyrimidin-4-one
  • 3-beta-ribofuranosylthieno(2,3-d)pyrimidin-4-one
  • 3-rtpo
  • 3beta-d-ribofuranosylthieno(2,3-d)pyrimidin-4(3h)-one
  • theno(2,3-d)pyrimidin-4(3h)-one, 3-(beta-d-ribofuranosyl)-
  • thieno(2,3-d)pyrimidin-4(3h)-one, 3-beta-d-ribofuranosyl-
InChIKey KTDLTNGIIOXIRK-KCGFPETGSA-N
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