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

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Formula C14H19N5O5
IUPAC Name (6r,8r)-8-hydroxy-3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-methyl-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
Molecular Mass 337.331 g·mol−1
Heat of Formation -673.9 ± 16.7 kJ·mol−1
Dipole Moment 5.85 ± 1.08 D
Volume 372.01 Å 3
Surface Area 327.43 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,8r)-8-hydroxy-3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-6-methyl-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
  • (6r,8r)-8-hydroxy-3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
  • (6r,8r)-8-hydroxy-3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-methyl-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
  • (6r,8r)-8-hydroxy-3-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-6-methyl-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
  • c-1,n-pdgu
  • cyclic 1,n(2)-propanodeoxyguanosine
  • pyrimido(1,2-a)purin-10(3h)-one, 3-(2-deoxy-beta-d-erythro-pentofuranosyl)-5,6,7,8-tetrahydro-8-hydroxy-6-methyl-, (6r-trans)-
CAS Number(s)
  • 85352-97-2
InChIKey DKBDYPZFCQIHPX-JDDHQFAOSA-N
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