(2R,3R,4R,5R)-5-(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-2-({[({(3R,4R)-4-({[{[(2R,3R,4R,5R)-5-(2-Amino-6-Oxo-6,8-Dihydro-9H-Purin-9-Yl)-2-(Hydroxymethyl)-4-Methoxytetrahydro-3-Furanyl]Oxy}(Hydroxy)Phosphoryl]Oxy}Methyl)-1-[(4-Amino-5H-Pyrrolo[3,2-D]Pyrimidin-7-Yl)Methyl]-3-Pyrrolidinyl}Oxy)(Hydroxy)Phosphoryl]Oxy}Methyl)-4-Methoxytetrahydro-3-Furanyl 3-Hydroxypropyl Hydrogen Phosphate (Non-Preferred Name)

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Formula C37H52N15O20P3
IUPAC Name (2r,3r,4r,5r)-5-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-2-({[({(3r,4r)-4-({[{[(2r,3r,4r,5r)-5-(2-amino-6-oxo-6,8-dihydro-9h-purin-9-yl)-2-(hydroxymethyl)-4-methoxytetrahydro-3-furanyl]oxy}(hydroxy)phosphoryl]oxy}methyl)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-3-pyrrolidinyl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-methoxytetrahydro-3-furanyl 3-hydroxypropyl hydrogen phosphate (non-preferred name)
Molecular Mass 1119.819 g·mol−1
Heat of Formation 1040.2 ± 16.7 kJ·mol−1
Dipole Moment 35.92 ± 1.08 D
Volume 1040.75 Å 3
Surface Area 762.51 Å 2
HOMO Energy -7.73 ± 0.55 eV
LUMO Energy -4.05 ± eV
Point Group Symmetry C1
InChIKey XYVXLTGAFUOPLT-UHFFFAOYSA-N
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