2,8-Diamino-9-{[(1,3-Dihydroxy-2-Propanyl)Oxy]Methyl}-3,9-Dihydro-6H-Purin-6-One

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Formula C9H21N6O4+
IUPAC Name 2,8-diamino-9-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-3h-purine-1,2,4,5,7,8-hexaid-6-one
Molecular Mass 277.301 g·mol−1
Heat of Formation -429.0 ± 16.7 kJ·mol−1
Dipole Moment 12.80 ± 1.08 D
Volume 295.92 Å 3
Surface Area 268.29 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • 2,8-diamino-9-(1,3-dihydroxypropan-2-yloxymethyl)-3h-purin-6-one
  • 2,8-diamino-9-[(2-hydroxy-1-methylol-ethoxy)methyl]-3h-purin-6-one
  • 2,8-diamino-9-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-3h-purin-6-one
  • 6h-purin-6-one, 2,8-diamino-1,9-dihydro-9-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)-
  • 8-amino-2'-nordeoxyguanosine
  • pd 116124
CAS Number(s)
  • 98695-80-8
InChIKey SYAUXCCCMBAREC-UHFFFAOYSA-N
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