1-Allyl-9-Pentofuranosyl-3,9-Dihydro-1H-Purine-2,6-Dione

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Properties Simple | Detailed

Formula C13H16N4O6
IUPAC Name 1-allyl-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3h-purine-2,6-dione
Molecular Mass 324.289 g·mol−1
Heat of Formation 361.9 ± 16.7 kJ·mol−1
Dipole Moment 5.48 ± 1.08 D
Volume 334.95 Å 3
Surface Area 311.66 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy -2.21 ± eV
Point Group Symmetry C1
InChIKey NNMYXNSKGHQLRZ-YWZCALJYSA-N
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