[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,4r,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 -50.4 ± 16.7 kJ·mol−1
Dipole Moment 2.56 ± 1.08 D
Volume 301.54 Å 3
Surface Area 270.15 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
InChIKey ZGCLIXGLQFSZRB-DJLDLDEBSA-N
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