[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] [(2R,3S,4R,5R)-5-(Diimidazo[3,4-D:1',3'-E]Triazin-3-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate

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Properties Simple | Detailed

Formula C21H33N11O14P2
IUPAC Name [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2r,3s,4r,5r)-5-(diimidazo[3,4-d:1',3'-e]triazin-3-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate
Molecular Mass 725.500 g·mol−1
Heat of Formation -2234.2 ± 16.7 kJ·mol−1
Dipole Moment 15.31 ± 1.08 D
Volume 708.97 Å 3
Surface Area 591.79 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -2.00 ± eV
Point Group Symmetry C1
Synonyms
  • 1,n(6)-etheno-2-azaadenosine guanosine 3'-phosphodiester
  • geaad
  • guanosine, 2-aza-n,6-didehydro-n,1-(1,2-ethenediyl)-1,6-dihydro-3'-o-phosphonoadenylyl-(5'-3')-
CAS Number(s)
  • 73962-09-1
InChIKey QUSXVKRBWHOWPC-XPWFQUROSA-N
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