1-Allylxanthosine

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Properties Simple | Detailed

Formula C13H17N4O6
IUPAC Name 1-allyl-9-[(2s,3r,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3h-purin-7-ium-4-ide-2,6-dione
Molecular Mass 325.297 g·mol−1
Heat of Formation -815.2 ± 16.7 kJ·mol−1
Dipole Moment 5.75 ± 1.08 D
Volume 352.56 Å 3
Surface Area 304.19 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy 2.37 ± eV
Point Group Symmetry C1
InChIKey NNMYXNSKGHQLRZ-GTBBIVDNSA-N
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