Methyl (2S)-2-{[{[(2S,3S,5R)-3-Azido-5-(5-Bromo-6-Methoxy-5-Methyl-2,4-Dioxotetrahydro-1(2H)-Pyrimidinyl)Tetrahydro-2-Furanyl]Methoxy}(4-Methoxyphenoxy)Phosphoryl]Amino}Propanoate

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Formula C22H31BrN6O10P
IUPAC Name methyl (2s)-2-[[[(2s,3s,5r)-3-azido-5-[(5s,6s)-5-bromo-6-methoxy-5-methyl-2,4-dioxo-hexahydropyrimidin-1-yl]tetrahydrofuran-2-yl]methoxy-(4-methoxyphenoxy)phosphoryl]amino]propanoate
Molecular Mass 650.394 g·mol−1
Heat of Formation -1666.2 ± 16.7 kJ·mol−1
Dipole Moment 0.72 ± 1.08 D
Volume 658.0 Å 3
Surface Area 499.81 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
InChIKey GQIXCPWFKNTUMJ-GKRNMIPYSA-N
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Elements C H O N P Br