3-(2-Deoxy-α-D-Erythro-Pentofuranosyl)Pyrimido[1,2-A]Purin-10(3H)-One

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Formula C13H13N5O4
IUPAC Name 3-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimido[1,2-a]purine-1,4,5-triium-10-one
Molecular Mass 303.273 g·mol−1
Heat of Formation -308.1 ± 16.7 kJ·mol−1
Dipole Moment 3.75 ± 1.08 D
Volume 322.24 Å 3
Surface Area 293.11 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -1.55 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(2'-deoxyribofuranosyl)pyrimido(1,2-a)purin-10(3h)-one
  • 3-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-10-pyrimido[1,2-a]purinone
  • 3-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimido[1,2-a]purin-10-one
  • 3-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimido[1,2-a]purin-10-one
  • 3-[(2s,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimido[1,2-a]purin-10-one
  • m(1)g-deoxyribose
  • m1g-dr
  • malondialdehyde-2'-deoxyguanosine adduct
  • pyrimido(1,2-a)purin-10(3h)-one, 3-(2-deoxy-beta-d-erythro-pentofuranosyl)-
CAS Number(s)
  • 87171-83-3
InChIKey QZDHOBJINVXQCJ-YIZRAAEISA-N
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