2-Amino-5-(5-Amino-1-Pentyn-1-Yl)-7-{2-Deoxy-5-O-[(S)-Hydroxy{[(S)-Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl]-β-D-Erythro-Pentofuranosyl}-3,7-Dihydro-4H-Pyrrolo[2,3-D]Pyrimidin-4-One

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Formula C16H30N5O13P3
IUPAC Name [[(2r,3s,5r)-5-[2-amino-5-(5-aminopent-1-ynyl)-4-oxo-3,6-dihydropyrrolo[2,3-d]pyrimidine-1,2,4a,5,6,7a-hexaid-7-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 593.356 g·mol−1
Heat of Formation -2967.8 ± 16.7 kJ·mol−1
Dipole Moment 3.91 ± 1.08 D
Volume 587.56 Å 3
Surface Area 496.04 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry C1
InChIKey XIWGGMXHUSVMFH-QJPTWQEYSA-N
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