[[(2R,3S,5R)-5-(6-Amino-8-Azido-Purine-1,3,7-Triium-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate

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Properties Simple | Detailed

Formula C10H16N8O12P3
IUPAC Name [[(2r,3s,5r)-5-(6-amino-8-azido-purine-1,3,7-triium-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 533.202 g·mol−1
Heat of Formation -2524.0 ± 16.7 kJ·mol−1
Dipole Moment 6.21 ± 1.08 D
Volume 499.36 Å 3
Surface Area 397.28 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -1.26 ± eV
Point Group Symmetry C1
InChIKey KZTXXIZDEQHQEA-KVQBGUIXSA-O
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