4-(6-Amino-9H-Purin-9-Yl)-2,3-Butadien-1-Ol

Molecule SVG Image

Properties Simple | Detailed

Formula C9H9N5O
IUPAC Name 4-(6-aminopurin-9-ium-9-yl)buta-2,3-dien-1-ol
Molecular Mass 203.201 g·mol−1
Heat of Formation 267.6 ± 16.7 kJ·mol−1
Dipole Moment 2.09 ± 1.08 D
Volume 234.54 Å 3
Surface Area 231.86 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • (r)-(-)-9-(4-hydroxy-1,2-butadien-1-yl)adenine
  • (r)-(-)-n^9-(4-hydroxy-1,2-butadien-1-yl)adenine
  • (s)-(+)-n^9-(4-hydroxy-1,2-butadien-1-yl)adenine
  • 2,3-butadien-1-ol, 4-(6-amino-9h-purin-9-yl)-, (+-)-
  • 2,3-butadien-1-ol, 4-(6-amino-9h-purin-9-yl)-, (+/-)-
  • 4-(6-amino-9-purinyl)buta-2,3-dien-1-ol
  • 4-(6-aminopurin-9-yl)buta-2,3-dien-1-ol
  • 9-(4'-hydroxy-1',2'-butadienyl)adenine
  • adenallene
  • n(sup9)-(4-hydroxy-1,2-butadien-1-yl)adenine
  • r-(-)-adenallene
  • s-(+)-adenallene
CAS Number(s)
  • 114987-18-7
InChIKey TYQIYCWCVLIXPH-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N