[(2R,3S,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-2-[[Hydroxy-[Hydroxy(Phosphonooxy)Phosphoryl]Oxy-Phosphoryl]Oxymethyl]Tetrahydrofuran-3-Yl] 2-Aminobenzoate

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Properties Simple | Detailed

Formula C17H21N6O13P3
IUPAC Name [(2r,3s,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 2-aminobenzoate
Molecular Mass 610.302 g·mol−1
Heat of Formation -2939.4 ± 16.7 kJ·mol−1
Dipole Moment 4.17 ± 1.08 D
Volume 599.08 Å 3
Surface Area 502.04 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -1.32 ± eV
Point Group Symmetry C1
InChIKey WTAVOYJIUMZCCT-YNEHKIRRSA-O
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