9-(3-Hydroxy-2-Hydroxymethylprop-1-Yl)-Guanine

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Properties Simple | Detailed

Formula C9H13N5O3
IUPAC Name 2-amino-9-[3-hydroxy-2-(hydroxymethyl)propyl]-3h-purin-6-one
Molecular Mass 239.231 g·mol−1
Heat of Formation -277.4 ± 16.7 kJ·mol−1
Dipole Moment 11.63 ± 1.08 D
Volume 271.83 Å 3
Surface Area 248.59 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(guanin-9-ylmethyl)-propan-1,3-diol
  • 2-amino-9-(3-hydroxy-2-(hydroxymethyl)propyl)-1,9-dihydro-6h-purin-6-one
  • 2-amino-9-(3-hydroxy-2-methylol-propyl)-3h-purin-6-one
  • 2-amino-9-[3-hydroxy-2-(hydroxymethyl)propyl]-3h-purin-6-one
  • 6h-purin-6-one, 2-amino-1,9-dihydro-9-[3-hydroxy-2-(hydroxymethyl)propyl]-
  • tiviciclovir (inn)
CAS Number(s)
  • 103024-93-7
InChIKey ANFNNSIOGODJDN-UHFFFAOYSA-N
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