2-[2-(6-Amino-9H-Purin-9-Yl)Ethylidene]-1,3-Propanediol

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Properties Simple | Detailed

Formula C10H13N5O2
IUPAC Name 2-[2-(6-aminopurin-9-ium-9-yl)ethylidene]propane-1,3-diol
Molecular Mass 235.243 g·mol−1
Heat of Formation -92.3 ± 16.7 kJ·mol−1
Dipole Moment 4.76 ± 1.08 D
Volume 268.84 Å 3
Surface Area 247.02 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 2.37 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2-(6-amino-9-purinyl)ethylidene]propane-1,3-diol
  • 2-[2-(6-aminopurin-9-yl)ethylidene]propane-1,3-diol
  • 9-(4-hydroxy-3-(hydroxymethyl)-2-butenyl)adenine
  • 9-hhmba
CAS Number(s)
  • 107053-43-0
InChIKey GVACIKDVFKGHHK-UHFFFAOYSA-N
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