[[(3R)-4-[[3-[[(3R)-4-Amino-3-Fluoro-4-Oxo-Butyl]Amino]-3-Oxo-Propyl]Amino]-3-Hydroxy-2,2-Dimethyl-4-Oxo-Butoxy]-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate

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Properties Simple | Detailed

Formula C23H40FN8O17P3
IUPAC Name [[(3r)-4-[[3-[[(3r)-4-amino-3-fluoro-4-oxo-butyl]amino]-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butoxy]-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 812.527 g·mol−1
Heat of Formation -4079.0 ± 16.7 kJ·mol−1
Dipole Moment 9.68 ± 1.08 D
Volume 842.9 Å 3
Surface Area 663.92 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy -1.46 ± eV
Point Group Symmetry C1
InChIKey GGTJGTOCRNUWRP-SYSIYMLXSA-O
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