[(2R,3R,4R,5R)-2-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-5-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl] 2-Aminobenzoate

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Formula C17H19N6O8P
IUPAC Name [(2r,3r,4r,5r)-2-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-3-yl] 2-aminobenzoate
Molecular Mass 466.342 g·mol−1
Heat of Formation -1371.8 ± 16.7 kJ·mol−1
Dipole Moment 4.38 ± 1.08 D
Volume 483.78 Å 3
Surface Area 409.65 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
InChIKey SEQGIXAEYMTMQU-XNIJJKJLSA-O
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