[[(2S,3S,4R,5R)-5-(6-Amino-8-Azido-Purin-9-Ium-3-Id-9-Yl)-3-Hydroxy-4-Blahoxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate

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Properties Simple | Detailed

Formula C22H29N9O15P3S
IUPAC Name [[(2s,3s,4r,5r)-5-(6-amino-8-azido-purin-9-ium-3-id-9-yl)-3-hydroxy-4-blahoxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 784.503 g·mol−1
Heat of Formation -2835.5 ± 16.7 kJ·mol−1
Dipole Moment 5.79 ± 1.08 D
Volume 759.32 Å 3
Surface Area 546.34 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry C1
InChIKey YOTNNVQLJHBBPU-MUMXORNYSA-O
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