2-[1-(6-Amino-9H-Purin-9-Yl)-2-Oxoethoxy]Acrylaldehyde

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Properties Simple | Detailed

Formula C10H9N5O3
IUPAC Name 2-[(1r)-1-(6-aminopurin-9-ium-9-yl)-2-oxo-ethoxy]prop-2-enal
Molecular Mass 247.210 g·mol−1
Heat of Formation -23.0 ± 16.7 kJ·mol−1
Dipole Moment 2.41 ± 1.08 D
Volume 274.6 Å 3
Surface Area 245.8 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
InChIKey VYBXRVWOQQROQZ-SSDOTTSWSA-N
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