[(2R,3S,4R,5S)-5-(6-Aminopurine-1,3,9-Triium-5-Id-7-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] 2-[3-[(26S,27S,28S,29R,33R,54R,55S,56S,57R,71R,89S)-29,55,56-Tris(2-Amino-2-Oxo-Ethyl)-26,27,28-Tris(3-Amino-3-Oxo-Propyl)-39,40,53,53,54,55,56,57-Octamethyl-Blahoctacyclo[Blah.Blah.Blah.Blah.Blah.Blah.Blah.Blah.Blah]Tetracosa-9(41),39(45),40(42)-Trien-54-Yl]Propanoylamino]Ethyl Hydrogen Phosphate

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Formula C57H86CoN16O14P
IUPAC Name [(2r,3s,4r,5s)-5-(6-aminopurine-1,3,9-triium-5-id-7-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] 2-[3-[(26s,27s,28s,29r,33r,54r,55s,56s,57r,71r,89s)-29,55,56-tris(2-amino-2-oxo-ethyl)-26,27,28-tris(3-amino-3-oxo-propyl)-39,40,53,53,54,55,56,57-octamethyl-blahoctacyclo[blah.blah.blah.blah.blah.blah.blah.blah.blah]tetracosa-9(41),39(45),40(42)-trien-54-yl]propanoylamino]ethyl hydrogen phosphate
Molecular Mass 1309.299 g·mol−1
Heat of Formation -2407.9 ± 16.7 kJ·mol−1
Dipole Moment 21.10 ± 1.08 D
Volume 1478.89 Å 3
Surface Area 980.64 Å 2
HOMO Energy -5.97 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
InChIKey OHIWRQVAWWUYAI-GVNDBXLGSA-M
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