3-{[(1,3-Dihydroxy-2-Propanyl)Oxy]Methyl}-6-Methyl-3,5-Dihydro-9H-Imidazo[1,2-A]Purin-9-One

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Properties Simple | Detailed

Formula C12H15N5O4
IUPAC Name 3-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-6-methyl-5h-imidazo[1,2-a]purin-9-one
Molecular Mass 293.279 g·mol−1
Heat of Formation -389.6 ± 16.7 kJ·mol−1
Dipole Moment 7.64 ± 1.08 D
Volume 330.71 Å 3
Surface Area 304.51 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4(1h,3h)-pyrimidinedione, 1-((2r,3r,4s)-3,4-bis(hydroxymethyl)-2-oxetanyl)-5-methyl-
  • 3,9-dihydro-3-((1,3-dihydroxy-2-propoxy)methyl)-6-methyl-9-oxo-5h-imidazol(1,2-a)purine
  • 3,9-dihydro-3-[(1,3-dihydroxy-2-propoxy)methyl]-6-methyl-9-oxo-5h-imidazo[1,2-a]purine
  • 3,9-dpmoip
  • 3-(1,3-dihydroxypropan-2-yloxymethyl)-6-methyl-5h-imidazo[1,2-a]purin-9-one
  • 3-[(2-hydroxy-1-methylol-ethoxy)methyl]-6-methyl-5h-imidazo[1,2-a]purin-9-one
  • 3-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-6-methyl-5h-imidazo[1,2-a]purin-9-one
  • 5h-imidazol(1,2-a)purine, 3,9-dihydro-3-((1,3-dihydroxy-2-propoxy)methyl)-6-methyl-9-oxo-
CAS Number(s)
  • 134287-58-4
InChIKey LYHBHLCAKKIOQX-UHFFFAOYSA-N
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