[[[[5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-1,3-Oxathiolan-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Amino]Phosphonic Acid

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Properties Simple | Detailed

Formula C8H15N4O11P3S
IUPAC Name [[[[(2r,5s)-5-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-1,3-oxathiolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid
Molecular Mass 468.211 g·mol−1
Heat of Formation -2701.4 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 438.54 Å 3
Surface Area 361.01 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
InChIKey KGYPGPIERPVYLF-NKWVEPMBSA-O
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