9,9'-{(2R,3R,3Ar,7Ar,9R,10R,10Ar,25Ar,27R,28R,28Ar,32Ar,35Ar,39Ar)-9-(6-Amino-9H-Purin-9-Yl)-34-[(4-Amino-5H-Pyrrolo[3,2-D]Pyrimidin-7-Yl)Methyl]-5,12,23,30,37-Pentahydroxy-3,10,28-Trimethoxy-5,12,23,30,37-Pentaoxidotetracosahydro-2H,7H,25H-Trifuro[3,2-F:3',2'-L:3'',2''-X]Pyrrolo[3,4-R][1,3,5,9,11,15,17,21,23,27,29,2,4,10,16,22,28]Undecaoxazapentaphosphacyclopentatriacontine-2,27-Diyl}Bis(2-Amino-3,9-Dihydro-6H-Purin-6-One)

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Formula C51H202N21O29P5++
IUPAC Name 9,9'-{(2r,3r,3ar,7ar,9r,10r,10ar,25ar,27r,28r,28ar,32ar,35ar,39ar)-9-(6-amino-9h-purin-9-yl)-34-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-5,12,23,30,37-pentahydroxy-3,10,28-trimethoxy-5,12,23,30,37-pentaoxidotetracosahydro-2h,7h,25h-trifuro[3,2-f:3',2'-l:3'',2''-x]pyrrolo[3,4-r][1,3,5,9,11,15,17,21,23,27,29,2,4,10,16,22,28]undecaoxazapentaphosphacyclopentatriacontine-2,27-diyl}bis(2-amino-3,9-dihydro-6h-purin-6-one)
Molecular Mass 1732.166 g·mol−1
Heat of Formation -5095.9 ± 16.7 kJ·mol−1
Dipole Moment 18.10 ± 1.08 D
Volume 1674.93 Å 3
Surface Area 1293.71 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
InChIKey UYGVCRAKTIGHOS-DFLHJNKYSA-N
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