2-(4-Amino-2-Oxo-1(2H)-Pyrimidinyl)-1,5-Anhydro-2,3-Dideoxy-6-O-Phosphonohexitol

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Formula C10H16N3O7P
IUPAC Name [(2r,3s,5s)-5-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-3-hydroxy-tetrahydropyran-2-yl]methyl dihydrogen phosphate
Molecular Mass 321.224 g·mol−1
Heat of Formation -1471.2 ± 16.7 kJ·mol−1
Dipole Moment 3.60 ± 1.08 D
Volume 335.33 Å 3
Surface Area 302.86 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
InChIKey YMMHAKLJCAQJRS-BIIVOSGPSA-O
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