9-(4-Hydroxy-2-Buten-1-Yl)Adenine

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Properties Simple | Detailed

Formula C9H11N5O
IUPAC Name (e)-4-(6-aminopurin-9-ium-9-yl)but-2-en-1-ol
Molecular Mass 205.217 g·mol−1
Heat of Formation 130.2 ± 16.7 kJ·mol−1
Dipole Moment 3.09 ± 1.08 D
Volume 242.55 Å 3
Surface Area 230.16 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 2.53 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-4-(6-amino-9-purinyl)but-2-en-1-ol
  • (e)-4-(6-aminopurin-9-yl)but-2-en-1-ol
  • 2-buten-1-ol, 4-(6-amino-9h-purin-9-yl)-, (2e)-
  • 2-buten-1-ol, 4-(6-amino-9h-purin-9-yl)-, (e)-
  • 9-(trans-4-hydroxy-2-buten-1-yl)adenine
  • trans isomer
CAS Number(s)
  • 104715-57-3
InChIKey DYLIWHYUXAJDOJ-OWOJBTEDSA-N
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