[(2R,3R,4R,5R)-5-(2-Amino-6-Oxo-1H-Purine-3,7-Diium-9-Yl)-2-[[[(1S,3R,4R)-1-[(4-Amino-5H-Pyrrolo[3,2-D]Pyrimidine-1,3-Diium-4A-Id-7-Yl)Methyl]-4-[[Hydroxy(3-Hydroxypropoxy)Phosphoryl]Oxymethyl]Pyrrolidin-3-Yl]Oxy-Hydroxy-Phosphoryl]Oxymethyl]-4-Methoxy-Tetrahydrofuran-3-Yl] 4-Hydroxybutyl Hydrogen Phosphate

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Formula C30H48N10O17P3
IUPAC Name [(2r,3r,4r,5r)-5-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)-2-[[[(1s,3r,4r)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidine-1,3-diium-4a-id-7-yl)methyl]-4-[[hydroxy(3-hydroxypropoxy)phosphoryl]oxymethyl]pyrrolidin-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-4-methoxy-tetrahydrofuran-3-yl] 4-hydroxybutyl hydrogen phosphate
Molecular Mass 913.680 g·mol−1
Heat of Formation -3483.8 ± 16.7 kJ·mol−1
Dipole Moment 11.19 ± 1.08 D
Volume 980.49 Å 3
Surface Area 779.25 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
InChIKey VZPMXJGXWVPYFT-BLRDUOQJSA-P
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