(2R,3R,4R,5S)-2-[6-[(4-Azidophenyl)Methylamino]Purine-1,3,7-Triium-9-Yl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol

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Formula C17H19N8O4
IUPAC Name (2r,3r,4r,5s)-2-[6-[(4-azidophenyl)methylamino]purine-1,3,7-triium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 399.384 g·mol−1
Heat of Formation -43.6 ± 16.7 kJ·mol−1
Dipole Moment 1.14 ± 1.08 D
Volume 443.01 Å 3
Surface Area 394.13 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry C1
InChIKey LMFWMFWXYOLNEW-HVOFVXBASA-O
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