[(2R,3S,5R)-3-Hydroxy-5-[2-[[(1S)-1-Methyl-3-Oxo-Propyl]Amino]-6-Oxo-1,8-Dihydropurine-2,3,4,5,7,8-Hexaid-9-Yl]Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Formula C14H26N5O8P
IUPAC Name [(2r,3s,5r)-3-hydroxy-5-[2-[[(1s)-1-methyl-3-oxo-propyl]amino]-6-oxo-1,8-dihydropurine-2,3,4,5,7,8-hexaid-9-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 423.359 g·mol−1
Heat of Formation -1517.8 ± 16.7 kJ·mol−1
Dipole Moment 10.47 ± 1.08 D
Volume 448.7 Å 3
Surface Area 383.55 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
InChIKey LLZCTKFQBACUDS-AXTSPUMRSA-N
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