5'-O-[{[6-({[6-({6-[(6-Carbamoyl-3,6,7,8-Tetrahydropyrrolo[3,2-E]Indol-2-Yl)Carbonyl]-3,6,7,8-Tetrahydropyrrolo[3,2-E]Indol-2-Yl}Carbonyl)-3,6,7,8-Tetrahydropyrrolo[3,2-E]Indol-2-Yl]Carbonyl}Amino)Hexyl]Oxy}(Hydroxy)Phosphoryl]Thymidine

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Formula C50H53N10O12P
IUPAC Name 6-[[6-[6-(6-carbamoyl-7,8-dihydro-3h-pyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3h-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3h-pyrrolo[3,2-e]indole-2-carbonyl]amino]hexyl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 1016.989 g·mol−1
Heat of Formation -1866.5 ± 16.7 kJ·mol−1
Dipole Moment 8.51 ± 1.08 D
Volume 1124.93 Å 3
Surface Area 953.69 Å 2
HOMO Energy -8.28 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
InChIKey LIOBYMQDEBYUBC-HHWNUHTHSA-N
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