Methyl N-[{[(2R,5S)-5-(4-Amino-2-Oxo-1(2H)-Pyrimidinyl)-1,3-Oxathiolan-2-Yl]Methoxy}(Phenoxy)Phosphoryl]-L-Alaninate

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Properties Simple | Detailed

Formula C18H23N4O7PS+
IUPAC Name methyl (2s)-2-[[[(2r,5s)-5-(4-amino-2-oxo-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-phenoxy-phosphoryl]amino]propanoate
Molecular Mass 470.437 g·mol−1
Heat of Formation -1208.0 ± 16.7 kJ·mol−1
Dipole Moment 5.24 ± 1.08 D
Volume 527.21 Å 3
Surface Area 413.94 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
InChIKey JMBIXOVRMOFXSB-DCSFQJRJSA-N
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