Thymectacin

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Properties Simple | Detailed

Formula C21H25BrN3O9P
IUPAC Name methyl (2s)-2-[[[(2r,3s,5r)-5-[5-[(e)-2-bromovinyl]-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-phenoxy-phosphoryl]amino]propanoate
Molecular Mass 574.316 g·mol−1
Heat of Formation -1671.4 ± 16.7 kJ·mol−1
Dipole Moment 5.04 ± 1.08 D
Volume 577.73 Å 3
Surface Area 427.27 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy 2.05 ± eV
Point Group Symmetry C1
InChIKey CFBLUORPOFELCE-YYYQGIHCSA-P
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Elements C H O N P Br