[(1R,2R,5S)-5-(6-Amino-9H-Purin-9-Yl)-3-Cyclopentene-1,2-Diyl]Dimethanol

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Properties Simple | Detailed

Formula C12H15N5O2
IUPAC Name [(1r,4s,5r)-4-(6-aminopurin-9-ium-9-yl)-5-(hydroxymethyl)cyclopent-2-en-1-yl]methanol
Molecular Mass 261.280 g·mol−1
Heat of Formation -43.1 ± 16.7 kJ·mol−1
Dipole Moment 2.18 ± 1.08 D
Volume 301.34 Å 3
Surface Area 264.02 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy 2.53 ± eV
Point Group Symmetry C1
Synonyms
  • (+-)-9-[4'.beta.,5'.alpha.-bis(hydroxymethyl)cyclopent-2'-en-1'.beta.-yl)-adenine
  • 3-cyclopentene-1,2-dimethanol, 5-(6-amino-9h-purin-9-yl)-, (1alpha,2beta,5beta)-(+-)-
  • 9-(c-4,t-5-bis(hydroxymethyl)cyclopent-2-en-r-1-yl)-9h-adenine
  • [(1r,2s,5r)-2-(6-amino-9-purinyl)-5-(hydroxymethyl)-1-cyclopent-3-enyl]methanol
  • [(1r,2s,5r)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-1-cyclopent-3-enyl]methanol
  • [(1r,2s,5r)-2-(6-aminopurin-9-yl)-5-methylol-1-cyclopent-3-enyl]methanol
  • bohme-cp-adenine
CAS Number(s)
  • 140440-40-0
InChIKey ZGCLIXGLQFSZRB-YIZRAAEISA-N
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