[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-2-[[Hydroxy(Phosphonooxy)Phosphoryl]Oxymethyl]Tetrahydrofuran-3-Yl] 4-(4-Azido-2-Nitro-Anilino)Butanoate

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Formula C20H25N10O13P2
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 4-(4-azido-2-nitro-anilino)butanoate
Molecular Mass 675.419 g·mol−1
Heat of Formation -1974.5 ± 16.7 kJ·mol−1
Dipole Moment 8.33 ± 1.08 D
Volume 698.9 Å 3
Surface Area 496.21 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -1.65 ± eV
Point Group Symmetry C1
InChIKey HCZJRWAPXMSLKM-AEVYOOLXSA-O
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