[(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-Pyrimidin-3-Ium-1-Yl)-2-Azido-3,4-Bis(2-Methylpropanoyloxy)Tetrahydrofuran-2-Yl]Methyl 2-Methylpropanoate

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Properties Simple | Detailed

Formula C21H31N6O8
IUPAC Name [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-2-azido-3,4-bis(2-methylpropanoyloxy)tetrahydrofuran-2-yl]methyl 2-methylpropanoate
Molecular Mass 495.506 g·mol−1
Heat of Formation -1188.0 ± 16.7 kJ·mol−1
Dipole Moment 2.88 ± 1.08 D
Volume 584.15 Å 3
Surface Area 452.03 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy 2.73 ± eV
Point Group Symmetry C1
InChIKey JSCGTQDHYQEDHZ-DXEZIKHYSA-O
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