Cis-4-({9-[(3S)-Tetrahydro-3-Furanyl]-8-[(2,4,6-Trifluorophenyl)Amino]-9H-Purin-2-Yl}Amino)Cyclohexanol

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Formula C21H23F3N6O2
IUPAC Name 4-[[9-[(3s)-tetrahydrofuran-3-yl]-8-(2,4,6-trifluoroanilino)purine-1,3,7-triium-2-yl]amino]cyclohexanol
Molecular Mass 448.442 g·mol−1
Heat of Formation -555.8 ± 16.7 kJ·mol−1
Dipole Moment 4.67 ± 1.08 D
Volume 500.49 Å 3
Surface Area 420.26 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
InChIKey IBGLGMOPHJQDJB-MELADBBJSA-N
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