[(3R,4R,5R)-2-(6-Amino-8-Azido-Purin-9-Yl)-5-Methyl-4-(2,4,6-Trinitrophenoxy)Tetrahydrofuran-3-Yl]Oxy Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C16H15N11O13P
IUPAC Name [(2r,3r,4r,5r)-2-(6-amino-8-azido-purine-1,3,7-triium-9-yl)-5-methyl-4-(2,4,6-trinitrophenoxy)tetrahydrofuran-3-yl]oxy dihydrogen phosphate
Molecular Mass 600.330 g·mol−1
Heat of Formation -611.6 ± 16.7 kJ·mol−1
Dipole Moment 7.86 ± 1.08 D
Volume 577.55 Å 3
Surface Area 463.05 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -2.36 ± eV
Point Group Symmetry C1
InChIKey RJGMYABIKPHMAI-OUSFCYJCSA-N
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