4-Amino-1-(5-O-Benzoylpentofuranosyl)-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C16H17N3O6
IUPAC Name [(2s,3r,4r,5s)-5-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl benzoate
Molecular Mass 347.323 g·mol−1
Heat of Formation -866.4 ± 16.7 kJ·mol−1
Dipole Moment 7.08 ± 1.08 D
Volume 381.41 Å 3
Surface Area 322.44 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy 2.15 ± eV
Point Group Symmetry C1
InChIKey FGSKBSJIDNIGEV-ZZVYKPCYSA-N
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