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

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Properties Simple | Detailed

Formula C16H6N11O13P
IUPAC Name [4-[(5e)-4-cyano-5-cyanoimino-2-(iminoiminioamino)imidazol-3-ium-1-yl]-2-(2,3,5-trinitropent-1-en-4-ynylidene)furo[3,4-d][1,3]dioxol-6-yl]methyl phosphate
Molecular Mass 591.259 g·mol−1
Heat of Formation 915.6 ± 16.7 kJ·mol−1
Dipole Moment 17.20 ± 1.08 D
Volume 555.5 Å 3
Surface Area 468.68 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -5.61 ± eV
Point Group Symmetry C1
InChIKey WYMVSLKONRLTSR-RZBIZJOFSA-N
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