2',3'-O-(2,4,6-Trinitro-2,4-Cyclohexadiene-1,1-Diyl)Adenosine 5'-(Trihydrogen Diphosphate)

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Formula C16H16N8O16P2
IUPAC Name [[(2r,3ar,4r,5's,6r,6ar)-4-(6-aminopurine-1,3,7-triium-9-yl)-1',3',5'-trinitro-spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
Molecular Mass 638.290 g·mol−1
Heat of Formation -1642.2 ± 16.7 kJ·mol−1
Dipole Moment 5.42 ± 1.08 D
Volume 591.74 Å 3
Surface Area 455.69 Å 2
Point Group Symmetry C1
InChIKey WYOHYTDXVJMKHS-ZJIVNPCBSA-M
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