Ethyl 1-(β-D-Ribofuranosyl)-1H-1,2,4-Triazole-3-Carboximidate

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Formula C10H16N4O5
IUPAC Name ethyl 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-aza-1-azonia-2-azanidacyclopenta-3,5-diene-3-carboximidate
Molecular Mass 272.258 g·mol−1
Heat of Formation -609.2 ± 16.7 kJ·mol−1
Dipole Moment 4.62 ± 1.08 D
Volume 310.11 Å 3
Surface Area 283.12 Å 2
HOMO Energy -10.23 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
InChIKey TWCGLLOGIJJUGJ-DZQRUWTDSA-N
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