[(2R,3S,4R,5R)-5-(6-Amino-8-Azido-Purine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl 4-Fluorosulfonylbenzoate

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Formula C17H16FN8O7S
IUPAC Name [(2r,3s,4r,5r)-5-(6-amino-8-azido-purine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl 4-fluorosulfonylbenzoate
Molecular Mass 495.422 g·mol−1
Heat of Formation -709.2 ± 16.7 kJ·mol−1
Dipole Moment 4.39 ± 1.08 D
Volume 494.76 Å 3
Surface Area 429.26 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -1.67 ± eV
Point Group Symmetry C1
InChIKey OUZBOWGRZDKZSS-SDBHATRESA-O
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