7-(5-Deoxy-5-{Isopropyl[3-({[4-(2-Methyl-2-Propanyl)Phenyl]Carbamoyl}Amino)Propyl]Amino}-β-D-Ribofuranosyl)-7H-Pyrrolo[2,3-D]Pyrimidin-4-Amine

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Properties Simple | Detailed

Formula C28H42N7O4
IUPAC Name 1-[3-[[(2r,3s,4r,5r)-5-(4-aminopyrrolo[2,3-d]pyrimidine-1,3-diium-4a-id-7-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-isopropyl-amino]propyl]-3-(4-tert-butylphenyl)urea
Molecular Mass 540.678 g·mol−1
Heat of Formation -598.9 ± 16.7 kJ·mol−1
Dipole Moment 6.27 ± 1.08 D
Volume 671.29 Å 3
Surface Area 495.79 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry C1
InChIKey WXRGFPHDRFQODR-ICLZECGLSA-N
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