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

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Properties Simple | Detailed

Formula C13H6N4O6
IUPAC Name [1-[(z)-[3,4-dioxo-5-(oxomethylene)tetrahydrofuran-2-ylidene]amino]-2-methylidyneammonio-3-oxo-3-(prop-1-ynylamino)propylidene]-(oxomethylene)ammonium
Molecular Mass 314.210 g·mol−1
Heat of Formation 361.9 ± 16.7 kJ·mol−1
Dipole Moment 5.49 ± 1.08 D
Volume 334.93 Å 3
Surface Area 311.69 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy -2.21 ± eV
Point Group Symmetry C1
InChIKey NNMYXNSKGHQLRZ-YWZCALJYSA-N
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