Methyl N-[(4-Bromophenoxy){[(2S,5R)-5-(5-Methyl-2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-2,5-Dihydro-2-Furanyl]Methoxy}Phosphoryl]Alaninate

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Properties Simple | Detailed

Formula C20H23BrN3O8P++
IUPAC Name methyl (2s)-2-[[(4-bromophenoxy)-[[(2s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]amino]propanoate
Molecular Mass 544.290 g·mol−1
Heat of Formation -1476.9 ± 16.7 kJ·mol−1
Dipole Moment 5.55 ± 1.08 D
Volume 546.64 Å 3
Surface Area 376.11 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
InChIKey VPABMVYNSQRPBD-HNNBLBDISA-N
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Elements C H O N P Br