Methyl (2S)-2-[[[(2S,3S,5R)-3-Azido-5-[(5S,6R)-5-Bromo-6-Methoxy-5-Methyl-2,4-Dioxo-Hexahydropyrimidin-1-Yl]Tetrahydrofuran-2-Yl]Methoxy-(4-Bromophenoxy)Phosphoryl]Amino]Propanoate

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Properties Simple | Detailed

Formula C21H28Br2N6O9P
IUPAC Name methyl (2s)-2-[[[(2s,3s,5r)-3-azido-5-[(5s,6r)-5-bromo-6-methoxy-5-methyl-2,4-dioxo-hexahydropyrimidin-1-yl]tetrahydrofuran-2-yl]methoxy-(4-bromophenoxy)phosphoryl]amino]propanoate
Molecular Mass 699.264 g·mol−1
Heat of Formation -1446.6 ± 16.7 kJ·mol−1
Dipole Moment 6.36 ± 1.08 D
Volume 664.85 Å 3
Surface Area 469.54 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
InChIKey YWTVFDYSZQTFSZ-VIDSVGEWSA-N
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Elements C H O N P Br