2-Amino-5-{[(2,3-Dihydroxycyclopentyl)Amino]Methyl}-7-(5-O-Phosphonopentofuranosyl)-1,7-Dihydro-4H-Pyrrolo[2,3-D]Pyrimidin-4-One

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Formula C17H26N5O10P
IUPAC Name [(2r,3s,4r,5r)-5-[2-amino-5-[[[(1r,2s,3s)-2,3-dihydroxycyclopentyl]amino]methyl]-4-oxo-1h-pyrrolo[2,3-d]pyrimidine-3,7-diium-5-id-7-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 491.390 g·mol−1
Heat of Formation 212.7 ± 16.7 kJ·mol−1
Dipole Moment 13.29 ± 1.08 D
Volume 441.74 Å 3
Surface Area 394.45 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy 0.27 ± eV
Point Group Symmetry C1
InChIKey VYTHZZVQRUCDCO-LXGXKJLISA-N
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