1-[3-[[(2R,3S,4R,5R)-5-(4-Amino-5-Bromo-Pyrrolo[2,3-D]Pyrimidine-1,3-Diium-4A-Id-7-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methylamino]Propyl]-3-(4-Tert-Butylphenyl)Urea

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Properties Simple | Detailed

Formula C25H35BrN7O4
IUPAC Name 1-[3-[[(2r,3s,4r,5r)-5-(4-amino-5-bromo-pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-id-7-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylamino]propyl]-3-(4-tert-butylphenyl)urea
Molecular Mass 577.494 g·mol−1
Heat of Formation -495.6 ± 16.7 kJ·mol−1
Dipole Moment 3.70 ± 1.08 D
Volume 627.35 Å 3
Surface Area 542.11 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy 2.39 ± eV
Point Group Symmetry C1
InChIKey JIQVJEHHDLMGGD-ZDXOVATRSA-O
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Elements H C O Br N