3-(2-Deoxy-β-D-Erythro-Pentofuranosyl)-4,6,7,8-Tetrahydropyrimido[1,2-A]Purin-10(3H)-One

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Properties Simple | Detailed

Formula C13H18N5O4
IUPAC Name 3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4,6,7,8-tetrahydropyrimido[1,2-a]purin-1-ium-3a-id-10-one
Molecular Mass 308.313 g·mol−1
Heat of Formation -445.4 ± 16.7 kJ·mol−1
Dipole Moment 5.87 ± 1.08 D
Volume 336.18 Å 3
Surface Area 302.93 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • 1,n(2)-propanodeoxyguanosine
  • 3-(2-deoxy-beta-d-erythro-pentofuranosyl)-5,6,7,8-tetrahydropyrimido(1,2-a)purin-10(3h)-one
  • 3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
  • 3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
  • 3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
  • 3-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
  • pyrimido(1,2-a)purin-10(3h)-one, 3-(2-deoxy-beta-d-erythro-pentofuranosyl)-5,6,7,8-tetrahydro-
CAS Number(s)
  • 120667-07-4
InChIKey HGYWFMCWAWUWRE-DJLDLDEBSA-N
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