[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4S)-2,3,4-Trihydroxy-5-[(21R,22R,36S,45R)-22-Hydroxy-16,17-Dimethyl-30,32-Dioxo-21-Phenyl-Blahtetracyclo[Blah.Blah.Blah.Blah.Blah]Heptadeca-8(19),9(20),16,31(42),32(42)-Pentaen-44-Yl]Pentyl] Hydrogen Phosphate

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Formula C36H43N9O16P2
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4s)-2,3,4-trihydroxy-5-[(21r,22r,36s,45r)-22-hydroxy-16,17-dimethyl-30,32-dioxo-21-phenyl-blahtetracyclo[blah.blah.blah.blah.blah]heptadeca-8(19),9(20),16,31(42),32(42)-pentaen-44-yl]pentyl] hydrogen phosphate
Molecular Mass 919.725 g·mol−1
Heat of Formation -3117.2 ± 16.7 kJ·mol−1
Dipole Moment 5.59 ± 1.08 D
Volume 966.41 Å 3
Surface Area 661.89 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -1.61 ± eV
Point Group Symmetry C1
InChIKey QJHXPRIECILERF-LHVNJQMSSA-O
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