[(2R,3S,4R,5S)-5-(6-Amino-8H-Purin-7-Ium-8-Ylium-7-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] 2-[3-[(29S,30S,31S,32R,36R,54R,55S,56S,57R)-32,55,56-Tris(2-Amino-2-Oxo-Ethyl)-29,30,31-Tris(3-Amino-3-Oxo-Propyl)-38,39,53,53,54,55,56,57-Octamethyl-69-Aza-71,72,73-Triazonia-89Λ4-Cobaltaoctacyclo[Blah.Blah.Blah.Blah.Blah.Blah.Blah.Blah.Blah]Tetracosa-10(40),38(42),39(44),41(72),43(73),45(71)-Hexaen-54-Yl]Propanoylamino]Ethyl Hydrogen Phosphate

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Formula C57H82CoN16O14P
IUPAC Name [(2r,3s,4r,5s)-5-(6-amino-8h-purin-7-ium-8-ylium-7-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] 2-[3-[(29s,30s,31s,32r,36r,54r,55s,56s,57r)-32,55,56-tris(2-amino-2-oxo-ethyl)-29,30,31-tris(3-amino-3-oxo-propyl)-38,39,53,53,54,55,56,57-octamethyl-69-aza-71,72,73-triazonia-89λ4-cobaltaoctacyclo[blah.blah.blah.blah.blah.blah.blah.blah.blah]tetracosa-10(40),38(42),39(44),41(72),43(73),45(71)-hexaen-54-yl]propanoylamino]ethyl hydrogen phosphate
Molecular Mass 1305.267 g·mol−1
Heat of Formation -2398.1 ± 16.7 kJ·mol−1
Dipole Moment 19.76 ± 1.08 D
Volume 1485.47 Å 3
Surface Area 984.23 Å 2
HOMO Energy -6.01 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
InChIKey XZMFKDUDYMLUGK-GVNDBXLGSA-M
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