2-Amino-9-(3-Hydroxypropoxy)-1,9-Dihydro-6H-Purin-6-One

Molecule SVG Image

Properties Simple | Detailed

Formula C8H11N5O3
IUPAC Name 2-amino-9-(3-hydroxypropoxy)-3,8-dihydropurine-1,2,4,5,7,8-hexaid-6-one
Molecular Mass 225.205 g·mol−1
Heat of Formation -87.9 ± 16.7 kJ·mol−1
Dipole Moment 11.09 ± 1.08 D
Volume 251.19 Å 3
Surface Area 245.26 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy 2.35 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-1,9-dihydro-9-(3-hydroxypropoxy)-6h-purin-6-one
  • 2-amino-9-(3-hydroxypropoxy)-3h-purin-6-one
  • 6h-purin-6-one, 2-amino-1,9-dihydro-9-(3-hydroxypropoxy)-
  • 9-(3-hydroxypropoxy)guanine
  • brl 44385
  • brl-44385
CAS Number(s)
  • 114778-60-8
InChIKey UWCACOXRVYDNEE-UHFFFAOYSA-N
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