Methyl 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 C22H19BrN6O10P
IUPAC Name methyl 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
Molecular Mass 638.298 g·mol−1
Heat of Formation 1600.4 ± 16.7 kJ·mol−1
Dipole Moment 2.74 ± 1.08 D
Volume 586.84 Å 3
Surface Area 431.9 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -2.16 ± eV
Point Group Symmetry C1
InChIKey GQIXCPWFKNTUMJ-WCJDUVBKSA-N
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Elements P C O Br N