[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Ium-5-Ylium-3,6-Diid-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4S)-5-[(25S,30S,36R,37S,46R,47R)-36-Amino-18,19,36-Trimethyl-31,32-Dioxo-25-Phenyl-43,44,46,47-Tetrazatetracyclo[Blah.Blah.Blah.Blah.Blah]Heptadeca-9(21),10(22),18-Trien-46-Yl]-2,3,4-Trihydroxy-Pentyl] Hydrogen Phosphate

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Properties Simple | Detailed

Formula C37H50N10O15P2
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurin-9-ium-5-ylium-3,6-diid-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4s)-5-[(25s,30s,36r,37s,46r,47r)-36-amino-18,19,36-trimethyl-31,32-dioxo-25-phenyl-43,44,46,47-tetrazatetracyclo[blah.blah.blah.blah.blah]heptadeca-9(21),10(22),18-trien-46-yl]-2,3,4-trihydroxy-pentyl] hydrogen phosphate
Molecular Mass 936.798 g·mol−1
Heat of Formation -2872.4 ± 16.7 kJ·mol−1
Dipole Moment 2.36 ± 1.08 D
Volume 995.71 Å 3
Surface Area 748.44 Å 2
HOMO Energy -8.08 ± 0.55 eV
LUMO Energy -1.46 ± eV
Point Group Symmetry C1
InChIKey UVVZZCFPEAOSJG-TYNASPPKSA-O
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