8-Azido-5'-O-(Hydroxyphosphinato)-2',3'-O-(2,4,5-Trinitro-2,4-Cyclohexadiene-1,1-Diyl)Adenosine

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Formula C16H15N11O13P
IUPAC Name [(2r,3ar,4r,6r,6ar)-4-(6-amino-8-azido-purine-1,3,7-triium-9-yl)-1',2',4'-trinitro-spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,5'-cyclohexa-1,3-diene]-6-yl]methyl dihydrogen phosphate
Molecular Mass 600.330 g·mol−1
Heat of Formation -784.4 ± 16.7 kJ·mol−1
Dipole Moment 5.64 ± 1.08 D
Volume 570.11 Å 3
Surface Area 475.19 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -2.92 ± eV
Point Group Symmetry C1
InChIKey WYMVSLKONRLTSR-QKAGGWNMSA-M
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