[[(2R,3S,4R,5R)-5-(6-Amino-2-Azido-Purine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate

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Properties Simple | Detailed

Formula C10H16N8O13P3
IUPAC Name [[(2r,3s,4r,5r)-5-(6-amino-2-azido-purine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 549.201 g·mol−1
Heat of Formation -2748.8 ± 16.7 kJ·mol−1
Dipole Moment 8.09 ± 1.08 D
Volume 506.47 Å 3
Surface Area 374.43 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -1.67 ± eV
Point Group Symmetry C1
InChIKey YPSRQYKFJPNAKC-UUOKFMHZSA-O
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