2-Amino-9-[(2S,3S,3Ar,7Ar,9R,10R,10As,14As)-9-(6-Amino-9H-Purin-9-Yl)-3,5,10,12-Tetrahydroxy-5,12-Dioxidooctahydro-2H,7H-Difuro[3,2-D:3',2'-J][1,3,7,9,2,8]Tetraoxadiphosphacyclododecin-2-Yl]-3,9-Dihydro-6H-Purin-6-One

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Formula C20H14N10O13P2
IUPAC Name 2-amino-9-[(2s,3s,3ar,7ar,9r,10r,10as,14as)-9-(6-amino-9h-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2h,7h-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-3,9-dihydro-6h-purin-6-one
Molecular Mass 664.332 g·mol−1
Heat of Formation 323.3 ± 16.7 kJ·mol−1
Dipole Moment 14.72 ± 1.08 D
Volume 612.74 Å 3
Surface Area 516.56 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -4.44 ± eV
Point Group Symmetry C1
InChIKey RFCBNSCSPXMEBK-QXISTCNFSA-N
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